CAS 328028-11-1 3-[(2-Fluorophenyl)sulfamoyl]benzoic acid (HCID 2318073)

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Basic information

CAS: 328028-11-1
Standard SMILES: O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIKey: FMUBMBGZINBXJE-UHFFFAOYSA-N
Molecular formula: C13H10FNO4S
Average molar mass: 295.29 g/mol
Monoisotopic mass: 295.03145702

Names & identifiers

Preferred name: 3-[(2-Fluorophenyl)sulfamoyl]benzoic acid
IUPAC: 3-[(2-fluorophenyl)sulfamoyl]benzoic acid
English name: 3-(2-Fluoro-phenylsulfamoyl)-benzoic acid
Molecular formula: C13H10FNO4S
Molecular weight: 295.29

Names & synonyms

3-[(2-fluorophenyl)sulfamoyl]benzoic Acid3-[[(2-Fluorophenyl)amino]sulfonyl]benzoic acid3-((2-fluorophenyl)sulfamoyl)benzoic acid3-(((2-Fluorophenyl)amino)sulfonyl)benzoic acid3-{[(2-fluorophenyl)amino]sulfonyl}benzoic acidRefChem:488279999-615-3328028-11-13-(2-Fluoro-phenylsulfamoyl)-benzoic acidOprea1_526196SCHEMBL398719FMUBMBGZINBXJE-UHFFFAOYSA-N

Show more names

Benzoic acid, 3-[[(2-fluorophenyl)amino]sulfonyl]-

DTXSID001241869DNA02811MFCD02704605AKOS0001146543-[(2-fluorophenyl)sulfamoyl]benzoicAcidSY135475UPCMLD0ENAT0503-4387:001CS-0218161

Database identifiers

CAS: 328028-11-1
PubChem CID: 2318073
DTXSID: DTXSID001241869
EC Number: 999-615-3

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 91.9 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 448

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.