chempirical

4-Chlorosulfonylimidazole

C3H3ClN2O2SCAS 58767-51-4166.58 g/mol

Open in Covalent MOL file
NHNSOOCl

Properties

Molecular formula
C3H3ClN2O2S
Molar mass
166.58 g/mol
Exact mass
165.9604 Da
logP
0.34Crippen estimate
Polar surface area
62.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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
58767-51-4
SMILES
C1=C(NC=N1)S(=O)(=O)Cl
InChIKey
MXCZCMCHRWGSBX-UHFFFAOYSA-N
InChI
InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)

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Names and synonyms

1 names
  • 1H-Imidazole-4-sulfonyl chloride

Work with 4-Chlorosulfonylimidazole

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

3-Pyridinesulfonyl chloride16133-25-838 % similar 5-Chloro-1H-imidazole15965-31-838 % similar 1,2-Benzenedisulfonyl dichloride6461-76-338 % similar 5-Bromopyridine-3-sulfonyl chloride65001-21-036 % similar 5-Isoquinolinesulfonyl chloride84468-15-536 % similar 1,5-Naphthalenedisulfonyl chloride1928-01-434 % similar Imidazole-4-carboxaldehyde3034-50-234 % similar 4-Bromoimidazole2302-25-233 % similar

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

Elsewhere

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