chempirical

1,2-Dimethyl-1H-imidazole-4-sulfonyl chloride

C5H7ClN2O2SCAS 137049-02-6194.63 g/mol

Open in Covalent MOL file
NSOOClN

Properties

Molecular formula
C5H7ClN2O2S
Molar mass
194.63 g/mol
Exact mass
193.9917 Da
logP
0.66Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
137049-02-6
SMILES
Cc1nc(S(=O)(=O)Cl)cn1C
InChIKey
JPAFTHVNSBWVQJ-UHFFFAOYSA-N
InChI
InChI=1S/C5H7ClN2O2S/c1-4-7-5(3-8(4)2)11(6,9)10/h3H,1-2H3

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Names and synonyms

2 names
  • 1H-Imidazole-4-sulfonyl chloride, 1,2-dimethyl-
  • 1,2-Dimethylimidazole-4-sulfonyl chloride

Work with 1,2-Dimethyl-1H-imidazole-4-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

1,3,5-Trimethyl-1H-pyrazole-4-sulfonyl chloride59340-27-134 % similar 3,5-Dimethylbenzenesulfonyl chloride2905-27-332 % similar 4-Toluenesulfonyl chloride98-59-932 % similar 2,4-Dimethylthiazole-5-sulfonyl chloride80466-80-432 % similar Pentamethylbenzenesulfonyl chloride52499-94-231 % similar 3-Chloro-4-methylbenzenesulfonyl chloride42413-03-631 % similar 2-Methylbenzenesulfonyl chloride133-59-531 % similar 2,3,5,6-Tetramethylbenzenesulfonyl chloride60706-63-031 % similar

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

Elsewhere

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