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

C17H21ClN2O4S — CID 8593827

IUPAC1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
SMILESCCCC(CCC)C(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H21ClN2O4S/c1-3-5-13(6-4-2)16(21)19-11-12-20(17(19)22)25(23,24)15-9-7-14(18)8-10-15/h7-13H,3-6H2,1-2H3
InChIKeyRTBFDHQAYHNOGW-UHFFFAOYSA-N
MW384.89 g/mol
LogP3.40
Rot. Bonds7

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

1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one (PubChem CID 8593827) has the molecular formula C17H21ClN2O4S and a molecular weight of 384.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
PubChem CID8593827
Molecular FormulaC17H21ClN2O4S
Molecular Weight384.89 g/mol
Exact Mass384.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
SMILESCCCC(CCC)C(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C17H21ClN2O4S/c1-3-5-13(6-4-2)16(21)19-11-12-20(17(19)22)25(23,24)15-9-7-14(18)8-10-15/h7-13H,3-6H2,1-2H3
InChIKeyRTBFDHQAYHNOGW-UHFFFAOYSA-N
XLogP3.40
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.89
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
CID 8593853
1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593771
1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one
CID 8593869
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958
1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
CID 8593868
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one (CID 8593827) is 1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one is CCCC(CCC)C(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one?
The InChIKey is RTBFDHQAYHNOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4S/c1-3-5-13(6-4-2)16(21)19-11-12-20(17(19)22)25(23,24)15-9-7-14(18)8-10-15/h7-13H,3-6H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one?
1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one has a molecular weight of 384.89 g/mol, XLogP of 3.40, 7 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-(2-propylpentanoyl)imidazol-2-one is sourced from PubChem (CID 8593827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).