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

C15H17ClN2O4S — CID 8593825

IUPAC1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one
SMILESCC(C)(C)CC(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H17ClN2O4S/c1-15(2,3)10-13(19)17-8-9-18(14(17)20)23(21,22)12-6-4-11(16)5-7-12/h4-9H,10H2,1-3H3
InChIKeyDNAYBLJJDLNFSP-UHFFFAOYSA-N
MW356.83 g/mol
LogP2.62
Rot. Bonds3

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

1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one (PubChem CID 8593825) has the molecular formula C15H17ClN2O4S and a molecular weight of 356.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one
PubChem CID8593825
Molecular FormulaC15H17ClN2O4S
Molecular Weight356.83 g/mol
Exact Mass356.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one
SMILESCC(C)(C)CC(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C15H17ClN2O4S/c1-15(2,3)10-13(19)17-8-9-18(14(17)20)23(21,22)12-6-4-11(16)5-7-12/h4-9H,10H2,1-3H3
InChIKeyDNAYBLJJDLNFSP-UHFFFAOYSA-N
XLogP2.62
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593852
1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
CID 8593827
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-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
CID 8593868
1-(3-cyclohexylpropanoyl)-3-(4-methoxyphenyl)sulfonylimidazol-2-one
CID 8593908
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one (CID 8593825) is 1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one is CC(C)(C)CC(=O)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one?
The InChIKey is DNAYBLJJDLNFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O4S/c1-15(2,3)10-13(19)17-8-9-18(14(17)20)23(21,22)12-6-4-11(16)5-7-12/h4-9H,10H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one?
1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one has a molecular weight of 356.83 g/mol, XLogP of 2.62, 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-(3,3-dimethylbutanoyl)imidazol-2-one is sourced from PubChem (CID 8593825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).