4-Acetamido-3-chlorobenzenesulfonyl chloride

C₈H₇Cl₂NO₃SCAS 16761-18-5268.11 g/mol

Open in Covalent MOL file

Amide Aryl halide

Properties

Molecular formula: C₈H₇Cl₂NO₃S
Molar mass: 268.11 g/mol
Exact mass: 266.9524 Da
logP: 2.23Crippen estimate
Polar surface area: 63.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

16761-18-5

SMILES

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl

InChIKey

ALOQYFFSHSEVJH-UHFFFAOYSA-N

InChI

InChI=1S/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)

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Names and synonyms

1 names

3-Chloro-4-acetamidobenzene-1-sulfonyl chloride

Work with 4-Acetamido-3-chlorobenzenesulfonyl chloride

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

3-Chloro-4-methylbenzenesulfonyl chloride42413-03-655 % similar N-(2-Chloro-4-(trifluoromethyl)phenyl)acetamide247170-19-053 % similar 3,4-Dichlorobenzenesulfonyl chloride98-31-753 % similar 3,4-Dimethylbenzenesulfonyl chloride2905-30-844 % similar 1,3-Benzenedisulfonyl dichloride585-47-742 % similar 4-Acetylbenzenesulfonyl chloride1788-10-942 % similar 4-Chloro-3-(trifluoromethyl)benzenesulfonyl chloride32333-53-241 % similar 4-Acetamido-5-chloro-2-methoxybenzoic acid24201-13-640 % similar

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

Elsewhere

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