ContaminantDB: Carzenide

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (31)XML

Record Information

Version

1.0

Creation Date

2016-05-22 05:01:00 UTC

Update Date

2026-08-24 07:43:16 UTC

Accession Number

CHEM018124

Identification

Common Name

Carzenide

Class

Small Molecule

Description

Carzenide is an organic compound with the chemical formula C7H7NO4S and an average molecular weight of 201.20 g/mol. Carzenide belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. This compound is associated with five recorded sources, which include food preservation within the category of food, food processing, and cookware. Additionally, it is found in or released from household cleaning and consumer products, specifically soap detergents and bleaching agents, as well as electrical and electronic equipment such as hybrid capacitors and electrodes. Regarding its biological activity, carzenide acts on six recorded protein targets. It functions as an inhibitor of carbonic anhydrase 6 (CA6), carbonic anhydrase 9 (CA9), carbonic anhydrase 12 (CA12), and carbonic anhydrase 14 (CA14), in addition to two other proteins.

Contaminant Sources

ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
4-Benzoic acid	Kegg
4-Benzoate	Generator
4-Sulfamoylbenzoate	Generator
4-Sulphamoylbenzoate	Generator
4-Sulphamoylbenzoic acid	Generator
Carzenide	MeSH
Carzenide dipotassium salt	MeSH
Sulfamoylbenzoic acid	MeSH
Carzenide, monosilver (+1) salt	MeSH
p-Sulphamoylbenzoic acid	MeSH

Chemical Formula

C₇H₇NO₄S

Average Molecular Mass

201.200 g/mol

Monoisotopic Mass

201.010 g/mol

CAS Registry Number

138-41-0

IUPAC Name

4-sulfamoylbenzoic acid

Traditional Name

4-aminosulfonylbenzoic acid

SMILES

NS(=O)(=O)C1=CC=C(C=C1)C(O)=O

InChI Identifier

InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)

InChI Key

UCAGLBKTLXCODC-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
Benzoic acid or derivatives
Benzoic acid
Benzenesulfonyl group
Benzoyl
Organosulfonic acid amide
Aminosulfonyl compound
Sulfonyl
Organosulfonic acid or derivatives
Organic sulfonic acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Monocarboxylic acid or derivatives
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Organosulfur compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

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	6.72 g/L	ALOGPS
logP	0.32	ALOGPS
logP	0.24	ChemAxon
logS	-1.5	ALOGPS
pKa (Strongest Acidic)	3.54	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	97.46 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	45.47 m³·mol⁻¹	ChemAxon
Polarizability	17.91 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 LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0udi-0090000000-842b11aaafe721530bf8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0udi-0290000000-493d6143eae2301f9bf1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0fi0-9800000000-de8e25ef3694fef04c3e	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-0390000000-db7b6d91575431358dd1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0pb9-1950000000-a1311dbd3c93a65eab61	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9400000000-22068badbdbcba201985	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

8739

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Carzenide (CHEM018124)

Structure for CHEM018124: Carzenide