4-Chloro-2-fluoro-5-sulfamoylbenzoic acid

C₇H₅ClFNO₄SCAS 4793-22-0253.63 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Sulfonamide

Properties

Molecular formula: C₇H₅ClFNO₄S
Molar mass: 253.63 g/mol
Exact mass: 252.9612 Da
logP: 0.82Crippen estimate
Polar surface area: 97.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4793-22-0

SMILES

C1=C(C(=CC(=C1S(=O)(=O)N)Cl)F)C(=O)O

InChIKey

FDPTZONHYRXKLK-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClFNO4S/c8-4-2-5(9)3(7(11)12)1-6(4)15(10,13)14/h1-2H,(H,11,12)(H2,10,13,14)

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Names and synonyms

1 names

4-Chloro-2-fluoro-5-sulfamylbenzoic acid

Work with 4-Chloro-2-fluoro-5-sulfamoylbenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-(Aminosulfonyl)-2,4-dichlorobenzoic acid2736-23-474 % similar 5-(Aminosulfonyl)-4-chloro-2-hydroxybenzoic acid14556-98-069 % similar 4-Chloro-5-(chlorosulfonyl)-2-fluorobenzoic acid56447-54-269 % similar 4-Chloro-2,5-difluorobenzoic acid132794-07-162 % similar 5-Chloro-2,4-difluorobenzoic acid130025-33-157 % similar 4-Chloro-3-sulfamoylbenzoic acid1205-30-757 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-055 % similar 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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