Pentamethylbenzenesulfonyl chloride

C11H15ClO2SCAS 52499-94-2246.75 g/mol

Open in Covalent MOL file
SOOCl

Properties

Molecular formula
C11H15ClO2S
Molar mass
246.75 g/mol
Exact mass
246.0481 Da
logP
3.16Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
52499-94-2
SMILES
Cc1c(C)c(C)c(S(=O)(=O)Cl)c(C)c1C
InChIKey
VDBXRBKVRRJRRW-UHFFFAOYSA-N
InChI
InChI=1S/C11H15ClO2S/c1-6-7(2)9(4)11(15(12,13)14)10(5)8(6)3/h1-5H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • Benzenesulfonyl chloride, 2,3,4,5,6-pentamethyl-
  • Benzenesulfonyl chloride, pentamethyl-
  • 2,3,4,5,6-Pentamethylbenzenesulfonyl chloride
  • Pentamethylphenylsulfonyl chloride
  • 2,3,4,5,6-Pentamethylbenzene-1-sulfonyl chloride
  • Pentamethylbenzenesulphonyl chloride

Work with Pentamethylbenzenesulfonyl 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

2,3,5,6-Tetramethylbenzenesulfonyl chloride60706-63-064 % similar 2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuransulfonyl chloride154445-78-049 % similar 4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride80745-07-948 % similar Mesitylenesulfonyl chloride773-64-846 % similar 2,3,4,5,6-Pentafluorobenzenesulfonyl chloride832-53-144 % similar 3,5-Dimethylisoxazole-4-sulfonyl chloride80466-79-142 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-642 % similar 2,6-Dichlorobenzenesulfonylchloride6579-54-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-t-Amylbenzenesulphonyl chloride73948-18-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook