chempirical

5-(Aminosulfonyl)-2,4-dichlorobenzoic acid

C7H5Cl2NO4SCAS 2736-23-4270.08 g/mol

Open in Covalent MOL file
NH2SOOOHOClCl
Aryl halideCarboxylic acidSulfonamide

Properties

Molecular formula
C7H5Cl2NO4S
Molar mass
270.08 g/mol
Exact mass
268.9316 Da
Melting point
233–235 °C
logP
1.34Crippen estimate
Polar surface area
97.5 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
2736-23-4
SMILES
NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl
InChIKey
ZSHHRBYVHTVRFK-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2NO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)

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Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzoic acid, 5-(aminosulfonyl)-2,4-dichloro-
  • Benzoic acid, 2,4-dichloro-5-sulfamoyl-
  • 2,4-Dichloro-5-sulfamoylbenzoic acid
  • 3-Sulfamoyl-4,6-dichlorobenzoic acid
  • 5-Carboxy-2,4-dichlorobenzenesulfonamide
  • 5-Aminosulfonyl-2,4-dichlorobenzoic acid

Work with 5-(Aminosulfonyl)-2,4-dichlorobenzoic 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)-4-chloro-2-hydroxybenzoic acid14556-98-076 % similar 4-Chloro-3-sulfamoylbenzoic acid1205-30-763 % similar 5-(Aminosulfonyl)-2-chlorobenzoic acid97-04-163 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-158 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-049 % similar 4-Amino-6-chloro-1,3-benzenedisulfonamide121-30-249 % similar 2,4-Dichlorobenzoic acid50-84-049 % similar 4,5-Dichlorophthalic acid56962-08-449 % similar

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

Same formula

Halazone80-13-7

Elsewhere

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