chempirical

2-Methanesulfonylbenzene-1-sulfonyl chloride

C7H7ClO4S2CAS 89265-35-0254.70 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
89265-35-0
SMILES
CS(=O)(=O)C1=CC=CC=C1S(=O)(=O)Cl
InChIKey
XPJTUCSESGEMOI-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClO4S2/c1-13(9,10)6-4-2-3-5-7(6)14(8,11)12/h2-5H,1H3

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Names and synonyms

1 names
  • 2-(Methylsulfonyl)benzenesulfonyl chloride

Work with 2-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

1,2-Benzenedisulfonyl dichloride6461-76-371 % similar 2-Methylbenzenesulfonyl chloride133-59-557 % similar 2-Chlorobenzenesulfonyl chloride2905-23-953 % similar 2-Bromobenzenesulphonyl chloride2905-25-153 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-452 % similar 2-Fluorobenzenesulfonyl chloride2905-21-752 % similar 2-Iodobenzene-1-sulfonyl chloride63059-29-052 % similar 2-Methoxybenzenesulfonyl chloride10130-87-752 % similar

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

Same formula

3-(Methylsulfonyl)benzenesulfonyl chloride5335-40-0 4-Methanesulfonylbenzene-1-sulfonyl chloride82964-91-8

Elsewhere

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