1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one

C20H19ClN2O4S — CID 8593852

IUPAC1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
SMILESCC(C)(C)c1ccc(C(=O)n2ccn(S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C20H19ClN2O4S/c1-20(2,3)15-6-4-14(5-7-15)18(24)22-12-13-23(19(22)25)28(26,27)17-10-8-16(21)9-11-17/h4-13H,1-3H3
InChIKeyLIGVEZGTTWEPBL-UHFFFAOYSA-N
MW418.90 g/mol
LogP3.53
Rot. Bonds3

About 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one

1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one (PubChem CID 8593852) has the molecular formula C20H19ClN2O4S and a molecular weight of 418.90 g/mol. Its IUPAC name is 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
PubChem CID8593852
Molecular FormulaC20H19ClN2O4S
Molecular Weight418.90 g/mol
Exact Mass418.08
IUPAC Name1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
SMILESCC(C)(C)c1ccc(C(=O)n2ccn(S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1
InChIInChI=1S/C20H19ClN2O4S/c1-20(2,3)15-6-4-14(5-7-15)18(24)22-12-13-23(19(22)25)28(26,27)17-10-8-16(21)9-11-17/h4-13H,1-3H3
InChIKeyLIGVEZGTTWEPBL-UHFFFAOYSA-N
XLogP3.53
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.90
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
CID 8593851
1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one
CID 8593869
1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593863
1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one
CID 8593825
1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
CID 8593868
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
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-(2-propylpentanoyl)imidazol-2-one
CID 8593827
1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 18569068
N-[4-[4-(4-tert-butylbenzoyl)piperazin-1-yl]phenyl]-4-chlorobenzenesulfonamide
CID 1056916
N'-(4-tert-butylphenyl)sulfonyl-4-chloro-N,N'-bis(4-chlorobenzoyl)benzohydrazide
CID 56847024

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one (CID 8593852) is 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one is CC(C)(C)c1ccc(C(=O)n2ccn(S(=O)(=O)c3ccc(Cl)cc3)c2=O)cc1.
What is the InChIKey of 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one?
The InChIKey is LIGVEZGTTWEPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4S/c1-20(2,3)15-6-4-14(5-7-15)18(24)22-12-13-23(19(22)25)28(26,27)17-10-8-16(21)9-11-17/h4-13H,1-3H3.
What are the key properties of 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one?
1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one has a molecular weight of 418.90 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).