1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one

C17H13ClN2O5S — CID 8593853

IUPAC1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
SMILESCOc1ccccc1C(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H13ClN2O5S/c1-25-15-5-3-2-4-14(15)16(21)19-10-11-20(17(19)22)26(23,24)13-8-6-12(18)7-9-13/h2-11H,1H3
InChIKeyPEVBTXIIDNPVFV-UHFFFAOYSA-N
MW392.82 g/mol
LogP2.24
Rot. Bonds4

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

1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one (PubChem CID 8593853) has the molecular formula C17H13ClN2O5S and a molecular weight of 392.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
PubChem CID8593853
Molecular FormulaC17H13ClN2O5S
Molecular Weight392.82 g/mol
Exact Mass392.02
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
SMILESCOc1ccccc1C(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H13ClN2O5S/c1-25-15-5-3-2-4-14(15)16(21)19-10-11-20(17(19)22)26(23,24)13-8-6-12(18)7-9-13/h2-11H,1H3
InChIKeyPEVBTXIIDNPVFV-UHFFFAOYSA-N
XLogP2.24
TPSA87.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593771
1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 18569068
1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
CID 8593851
1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593863
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-(4-nitrobenzoyl)imidazol-2-one
CID 8593869
1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
CID 8593827
2-(4-chlorophenyl)sulfonyl-1-(2-methoxyphenyl)ethanone
CID 64644445
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8593954

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one (CID 8593853) is 1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one is COc1ccccc1C(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one?
The InChIKey is PEVBTXIIDNPVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O5S/c1-25-15-5-3-2-4-14(15)16(21)19-10-11-20(17(19)22)26(23,24)13-8-6-12(18)7-9-13/h2-11H,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one?
1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one has a molecular weight of 392.82 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one is sourced from PubChem (CID 8593853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).