Flazasulfuron (CHEM043814)

IdentificationTaxonomyBiological PropertiesPhysical PropertiesToxicity ProfileSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-06-03 11:18:11 UTC
Update Date2026-03-25 19:27:40 UTC
Accession NumberCHEM043814
Identification
Common NameFlazasulfuron
ClassSmall Molecule
DescriptionFlazasulfuron is an organic compound that is used as a herbicide. It is classified as a sulfonylurea, because it contains that functional group. The mode of action of flazasulfuron is the inhibition of the enzyme acetolactase synthase (ALS), which results in the inhibition of amino acid synthesis, cell division and ultimately plant growth. Flazasulfuron can be used on both pre-emergent weeds and post-emergent weeds. Growth ceases within hours of the application of the compound. Symptoms include leaf discolouration, desiccation, necrosis and ultimately plant death within 20 – 25 days of application. It is a white, water-soluble solid.
Contaminant Sources
  • STOFF IDENT Compounds
Contaminant TypeNot Available
Chemical Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
FlazasulphuronGenerator
N'-(4,6-dimethoxypyrimidin-2-yl)-N-{[3-(trifluoromethyl)pyridin-2-yl]sulfonyl}carbamimidateGenerator
N'-(4,6-dimethoxypyrimidin-2-yl)-N-{[3-(trifluoromethyl)pyridin-2-yl]sulphonyl}carbamimidateGenerator
N'-(4,6-dimethoxypyrimidin-2-yl)-N-{[3-(trifluoromethyl)pyridin-2-yl]sulphonyl}carbamimidic acidGenerator
Chemical FormulaC13H12F3N5O5S
Average Molecular Mass407.320 g/mol
Monoisotopic Mass407.051 g/mol
CAS Registry Number104040-78-0
IUPAC NameN'-(4,6-dimethoxypyrimidin-2-yl)-N-{[3-(trifluoromethyl)pyridin-2-yl]sulfonyl}carbamimidic acid
Traditional NameN'-(4,6-dimethoxypyrimidin-2-yl)-N-[3-(trifluoromethyl)pyridin-2-ylsulfonyl]carbamimidic acid
SMILESCOC1=CC(OC)=NC(N=C(O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)=N1
InChI IdentifierInChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)
InChI KeyHWATZEJQIXKWQS-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassPyridinesulfonamides
Direct ParentPyridinesulfonamides
Alternative Parents
Substituents
  • Pyridine-2-sulfonamide
  • Alkyl aryl ether
  • Sulfonylurea
  • Pyrimidine
  • Organic sulfonic acid or derivatives
  • Organosulfonic acid or derivatives
  • Heteroaromatic compound
  • Sulfonyl
  • Aminosulfonyl compound
  • Carboximidic acid derivative
  • Ether
  • Azacycle
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organosulfur compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organofluoride
  • Organohalogen compound
  • Alkyl fluoride
  • Organic oxide
  • Hydrocarbon derivative
  • Alkyl halide
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.066 g/LALOGPS
logP2.06ALOGPS
logP2.99ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)0.74ChemAxon
pKa (Strongest Basic)-1.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area135.89 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity87.96 m³·mol⁻¹ChemAxon
Polarizability33.23 ųChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0pdr-0490400000-db1012ca1bc410e62e55Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-0940000000-4a306a77fa84cef8eda7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0udi-0910000000-69309de2529e1deddac7Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0zfr-0970800000-2a34cf93aa5fa6e1e4a2Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-05fr-5961000000-050a40bebd16c0d219a9Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-05di-9340000000-a6c464c8e8370e4464bbSpectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkFlazasulfuron
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID93539
Kegg Compound IDC18441
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available