ContaminantDB: Dichlorphenamide

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-22 03:39:52 UTC

Update Date

2026-03-26 22:20:26 UTC

Accession Number

CHEM016667

Identification

Common Name

Dichlorphenamide

Class

Small Molecule

Description

A carbonic anhydrase inhibitor that is used in the treatment of glaucoma.

Contaminant Sources

HMDB Contaminants - Urine
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
1,3-Disulfamoyl-4,5-dichlorobenzene	ChEBI
1,3-Disulfamyl-4,5-dichlorobenzene	ChEBI
3,4-Dichloro-5-sulfamylbenzenesulfonamide	ChEBI
4,5-Dichloro-1,3-benzenedisulfonamide	ChEBI
4,5-Dichloro-1,3-disulfamoylbenzene	ChEBI
4,5-Dichloro-benzene-1,3-disulfonic acid diamide	ChEBI
4,5-Dichloro-m-benzenedisulfonamide	ChEBI
4,5-DICHLOROBENZENE-1,3-disulfonamide	ChEBI
Dichlofenamide	ChEBI
Dichlorophenamide	ChEBI
Diclofenamida	ChEBI
Diclofenamidum	ChEBI
Diclofenamide	Kegg
Daranide	Kegg
Keveyis	Kegg
1,3-Disulphamoyl-4,5-dichlorobenzene	Generator
1,3-Disulphamyl-4,5-dichlorobenzene	Generator
3,4-Dichloro-5-sulphamylbenzenesulphonamide	Generator
4,5-Dichloro-1,3-benzenedisulphonamide	Generator
4,5-Dichloro-1,3-disulphamoylbenzene	Generator
4,5-Dichloro-benzene-1,3-disulfonate diamide	Generator
4,5-Dichloro-benzene-1,3-disulphonate diamide	Generator
4,5-Dichloro-benzene-1,3-disulphonic acid diamide	Generator
4,5-Dichloro-m-benzenedisulphonamide	Generator
4,5-DICHLOROBENZENE-1,3-disulphonamide	Generator
4,5-Dicholorobenzene-1,3-disulfonamide	HMDB
Dichlorphenamid	HMDB
Diclofenamid	HMDB
Glauconide	HMDB
Llorens brand OF dichlorphenamide	HMDB
Merck brand OF dichlorphenamide	HMDB
Dichlorphenamide	ChEBI

Chemical Formula

C₆H₆Cl₂N₂O₄S₂

Average Molecular Mass

305.159 g/mol

Monoisotopic Mass

303.915 g/mol

CAS Registry Number

120-97-8

IUPAC Name

4,5-dichlorobenzene-1,3-disulfonamide

Traditional Name

dichlorphenamide

SMILES

NS(=O)(=O)C1=CC(=C(Cl)C(Cl)=C1)S(N)(=O)=O

InChI Identifier

InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)

InChI Key

GJQPMPFPNINLKP-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzenesulfonamides

Direct Parent

Benzenesulfonamides

Alternative Parents

Substituents

Benzenesulfonamide
Benzenesulfonyl group
1,2-dichlorobenzene
Chlorobenzene
Halobenzene
Aryl chloride
Aryl halide
Organosulfonic acid amide
Aminosulfonyl compound
Sulfonyl
Organic sulfonic acid or derivatives
Organosulfonic acid or derivatives
Organohalogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organochloride
Organosulfur compound
Organic oxygen compound
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

sulfonamide (CHEBI:101085 )
dichlorobenzene (CHEBI:101085 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.4 g/L	ALOGPS
logP	0.92	ALOGPS
logP	0.39	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	7.94	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	120.32 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	59.98 m³·mol⁻¹	ChemAxon
Polarizability	25.04 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-00fr-1190000000-05ac58ca7b0d878559c9	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0009000000-96143650a7f633efcdfb	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0019000000-bbe52404fad8ebabeb95	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-056r-0290000000-935d4eff121cbb4795c4	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0009000000-a20a034f8bd3c1f4b339	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-0049000000-f461bd5e7ade13a53282	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9030000000-9d1ed58d3493bfa5183f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0009000000-8d75050dd71415eaf9fa	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0009000000-f64b00d41ed047f0fb8b	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0udi-8983000000-461cb533d39e20c65f2d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0009000000-d6c1371b615951a81592	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-1009000000-07bb3898e1276ce9800d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-2fad48a6162984208029	Spectrum