2-Chloro-5-nitrobenzenesulfonamide

C₆H₅ClN₂O₄SCAS 96-72-0236.63 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: 184–185 °C
logP: 0.90Crippen estimate
Polar surface area: 103.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Identifiers

CAS number

96-72-0

SMILES

NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl

InChIKey

ZAJALNCZCSSGJC-UHFFFAOYSA-N

InChI

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

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Names and synonyms

3 names

Benzenesulfonamide, 2-chloro-5-nitro-
NSC 105711
2-Chloro-5-nitrobenzene-1-sulfonamide

Work with 2-Chloro-5-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chloro-5-nitrobenzenesulfonyl chloride4533-95-367 % similar 2-Chloro-5-nitrobenzenesulfonic acid96-73-165 % similar 2-Chloro-5-nitrobenzenesulfonic acid sodium salt946-30-563 % similar 1,2-Dichloro-4-nitrobenzene99-54-758 % similar 3-Nitrobenzenesulfonamide121-52-857 % similar 2-Chloro-5-nitroaniline6283-25-656 % similar 4-Nitrobenzenesulfonamide6325-93-555 % similar 2,4-Dinitrochlorobenzene97-00-755 % similar

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

Same formula

4-Chloro-3-nitrobenzenesulfonamide97-09-6

Elsewhere

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