chempirical

4-Methanesulfonylbenzene-1-sulfonyl chloride

C7H7ClO4S2CAS 82964-91-8254.70 g/mol

Open in Covalent MOL file
SOOSOOCl
Sulfone

Properties

Molecular formula
C7H7ClO4S2
Molar mass
254.70 g/mol
Exact mass
253.9474 Da
logP
1.02Crippen estimate
Polar surface area
68.3 Ų
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
82964-91-8
SMILES
CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl
InChIKey
TYJOQICPGZGYDT-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO4S2/c1-13(9,10)6-2-4-7(5-3-6)14(8,11)12/h2-5H,1H3

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Names and synonyms

1 names
  • 4-Methylsulfonylbenzenesulfonyl chloride

Work with 4-Methanesulfonylbenzene-1-sulfonyl 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

[1,1′-Biphenyl]-4,4′-disulfonyl dichloride3406-84-660 % similar 1-Chloro-4-(methylsulfonyl)benzene98-57-759 % similar 4-Toluenesulfonyl chloride98-59-959 % similar 4-tert-Butylbenzenesulfonyl chloride15084-51-259 % similar Methyl p-tolyl sulfone3185-99-756 % similar p-Tolyl methyl sulfone59203-01-956 % similar 4-Chlorobenzenesulfonyl chloride98-60-256 % similar Methyl phenyl sulfone3112-85-454 % similar

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

Same formula

3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-0 2-Methanesulfonylbenzene-1-sulfonyl chloride89265-35-0

Elsewhere

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