1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one

C13H13ClN2O4S — CID 8593820

IUPAC1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
SMILESCCCC(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H13ClN2O4S/c1-2-3-12(17)15-8-9-16(13(15)18)21(19,20)11-6-4-10(14)5-7-11/h4-9H,2-3H2,1H3
InChIKeyBIJYXMZFVCDZFP-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.98
Rot. Bonds4

About 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one

1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one (PubChem CID 8593820) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
PubChem CID8593820
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
SMILESCCCC(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C13H13ClN2O4S/c1-2-3-12(17)15-8-9-16(13(15)18)21(19,20)11-6-4-10(14)5-7-11/h4-9H,2-3H2,1H3
InChIKeyBIJYXMZFVCDZFP-UHFFFAOYSA-N
XLogP1.98
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
ethyl 4-[3-(4-methylphenyl)sulfonyl-2-oxoimidazol-1-yl]-4-oxobutanoate
CID 8593740
1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593852
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-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
CID 8593853
1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one
CID 8593869
1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593771
1-(4-methoxyphenyl)sulfonyl-3-(4-phenylbutanoyl)imidazol-2-one
CID 8593954
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one (CID 8593820) is 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one is CCCC(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one?
The InChIKey is BIJYXMZFVCDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c1-2-3-12(17)15-8-9-16(13(15)18)21(19,20)11-6-4-10(14)5-7-11/h4-9H,2-3H2,1H3.
What are the key properties of 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one?
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one has a molecular weight of 328.78 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).