4-Chloro-3-nitrobenzenesulfonamide

C₆H₅ClN₂O₄SCAS 97-09-6236.63 g/mol

Open in Covalent MOL file

Aryl halide Nitro Sulfonamide

Properties

Molecular formula: C₆H₅ClN₂O₄S
Molar mass: 236.63 g/mol
Exact mass: 235.9659 Da
Melting point: 25–35 °C
Boiling point: 175–176 °C
logP: 0.90Crippen estimate
Polar surface area: 103.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

97-09-6

SMILES

NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1

InChIKey

SPZGXONNVLTQDE-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(14(8,12)13)3-6(5)9(10)11/h1-3H,(H2,8,12,13)

Weigh it out

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

Names and synonyms

3 names

Benzenesulfonamide, 4-chloro-3-nitro-
NSC 512314
4-Chloro-3-nitrobenzene-1-sulfonamide

Work with 4-Chloro-3-nitrobenzenesulfonamide

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-3-nitrobenzenesulfonyl chloride97-08-567 % similar 4-Chloro-3-nitrobenzenesulfonic acid121-18-665 % similar 4-Methyl-3-nitrobenzenesulfonamide6949-23-165 % similar 1-Chloro-4-(methylsulfonyl)-2-nitrobenzene97-07-465 % similar Sodium 4-chloro-3-nitrobenzenesulfonate17691-19-963 % similar 3-Nitrobenzenesulfonamide121-52-857 % similar 4-Chloro-3-nitroaniline635-22-356 % similar 4-Nitrobenzenesulfonamide6325-93-555 % similar

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

Same formula

2-Chloro-5-nitrobenzenesulfonamide96-72-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook