3-(Methylsulfonyl)benzenesulfonyl chloride

C₇H₇ClO₄S₂CAS 5335-40-0254.70 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₇ClO₄S₂
Molar mass: 254.70 g/mol
Exact mass: 253.9474 Da
logP: 1.02Crippen estimate
Polar surface area: 68.3 Å²
H-bond donors / acceptors: 0 / 4
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

5335-40-0

SMILES

CS(=O)(=O)C1=CC(=CC=C1)S(=O)(=O)Cl

InChIKey

CQEFJGDLGWJIRV-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClO4S2/c1-13(9,10)6-3-2-4-7(5-6)14(8,11)12/h2-5H,1H3

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Names and synonyms

1 names

3-(Methylsulfonyl)benzenesulfonylchloride

Work with 3-(Methylsulfonyl)benzenesulfonyl 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

1,3-Benzenedisulfonyl dichloride585-47-773 % similar M-Toluenesulfonyl chloride1899-93-059 % similar 3-Chlorobenzenesulfonyl chloride2888-06-458 % similar 3-Fluorobenzenesulfonyl chloride701-27-956 % similar 3-Bromobenzenesulfonyl chloride2905-24-055 % similar 3-Bromophenylmethylsulfone34896-80-555 % similar 3-(Methylsulphonyl)aniline35216-39-855 % similar 3-Methoxybenzenesulfonyl chloride10130-74-254 % similar

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

Elsewhere

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