chempirical

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

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

5 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

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 Mesitylenesulfonyl chloride773-64-846 % similar 2,3,4,5,6-Pentafluorobenzenesulfonyl chloride832-53-144 % similar 3-Chloro-2-methylbenzenesulfonyl chloride80563-86-642 % similar 1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride59340-27-141 % similar 3,5-Dimethylbenzenesulfonyl chloride2905-27-339 % similar 4-Toluenesulfonyl chloride98-59-939 % similar

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

Elsewhere

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