1-[(4-chlorophenyl)sulfonyl]-2,4-dimethyl-1H-imidazole

HCID 700899

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Basic information

CAS: 5850-29-3
Standard SMILES: Cc1cn(S(=O)(=O)c2ccc(Cl)cc2)c(C)n1
InChIKey: DGEPWGYIIWUKMT-UHFFFAOYSA-N
Molecular formula: C11H11ClN2O2S
Average molar mass: 270.74 g/mol
Monoisotopic mass: 270.0229765

Names & identifiers

Preferred name: 1-[(4-chlorophenyl)sulfonyl]-2,4-dimethyl-1H-imidazole
IUPAC: 1-(4-chlorophenyl)sulfonyl-2,4-dimethylimidazole

Names & synonyms

1-[(4-chlorophenyl)sulfonyl]-2,4-dimethyl-1H-imidazole5850-29-31-(4-Chlorobenzene-1-sulfonyl)-2,4-dimethyl-1H-imidazole1-((4-Chlorophenyl)sulfonyl)-2,4-dimethyl-1H-imidazole1-(4-chlorophenyl)sulfonyl-2,4-dimethylimidazoleCBMicro_034036Oprea1_598224Oprea1_603680MLS000856520CHEMBL1487239DTXSID20351465HMS2679A08

Show more names

STK099066AKOS000620177SMR000274877BIM-0034187.P001ST4049652EU-0018793AB00097578-01AG-205/12755035

Database identifiers

CAS: 5850-29-3
PubChem CID: 700899
DTXSID: DTXSID20351465
ChEMBL: CHEMBL1487239

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 60.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 360

Experimental & physicochemical properties

Solubility8.6 [ug/mL] (The mean of the results at pH 7.4)

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