1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one

C18H15ClN2O4S — CID 8593851

IUPAC1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
SMILESCc1ccc(C(=O)n2ccn(S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1C
InChIInChI=1S/C18H15ClN2O4S/c1-12-3-4-14(11-13(12)2)17(22)20-9-10-21(18(20)23)26(24,25)16-7-5-15(19)6-8-16/h3-11H,1-2H3
InChIKeyCUEFHEFHJMGJMI-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.85
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one

1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one (PubChem CID 8593851) has the molecular formula C18H15ClN2O4S and a molecular weight of 390.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
PubChem CID8593851
Molecular FormulaC18H15ClN2O4S
Molecular Weight390.85 g/mol
Exact Mass390.04
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
SMILESCc1ccc(C(=O)n2ccn(S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1C
InChIInChI=1S/C18H15ClN2O4S/c1-12-3-4-14(11-13(12)2)17(22)20-9-10-21(18(20)23)26(24,25)16-7-5-15(19)6-8-16/h3-11H,1-2H3
InChIKeyCUEFHEFHJMGJMI-UHFFFAOYSA-N
XLogP2.85
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593863
1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593852
1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one
CID 8593869
1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
CID 8593868
1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593771
1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
CID 8593853
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one
CID 8593825
1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
CID 8593827
1-(cyclopentanecarbonyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
CID 8593975
1-(2-cyclopentylacetyl)-3-(3,4-dimethylphenyl)sulfonylimidazol-2-one
CID 8593979
1-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8594036

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one (CID 8593851) is 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one is Cc1ccc(C(=O)n2ccn(S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1C.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one?
The InChIKey is CUEFHEFHJMGJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O4S/c1-12-3-4-14(11-13(12)2)17(22)20-9-10-21(18(20)23)26(24,25)16-7-5-15(19)6-8-16/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one?
1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one has a molecular weight of 390.85 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one is sourced from PubChem (CID 8593851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).