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

C16H10Cl2N2O4S — CID 8593863

IUPAC1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
SMILESO=C(c1cccc(Cl)c1)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H10Cl2N2O4S/c17-12-4-6-14(7-5-12)25(23,24)20-9-8-19(16(20)22)15(21)11-2-1-3-13(18)10-11/h1-10H
InChIKeyMVESDYDITICIJC-UHFFFAOYSA-N
MW397.24 g/mol
LogP2.88
Rot. Bonds3

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

1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one (PubChem CID 8593863) has the molecular formula C16H10Cl2N2O4S and a molecular weight of 397.24 g/mol. Its IUPAC name is 1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
PubChem CID8593863
Molecular FormulaC16H10Cl2N2O4S
Molecular Weight397.24 g/mol
Exact Mass395.97
IUPAC Name1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
SMILESO=C(c1cccc(Cl)c1)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C16H10Cl2N2O4S/c17-12-4-6-14(7-5-12)25(23,24)20-9-8-19(16(20)22)15(21)11-2-1-3-13(18)10-11/h1-10H
InChIKeyMVESDYDITICIJC-UHFFFAOYSA-N
XLogP2.88
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
CID 8593868
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-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593771
1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
CID 8593853
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-(2-propylpentanoyl)imidazol-2-one
CID 8593827
1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 18569068
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
3-chlorobenzoyl chloride;4-methylsulfonylbenzoyl chloride
CID 160723063
1-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)ethane-1,2-dione
CID 18463772

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one (CID 8593863) is 1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one is O=C(c1cccc(Cl)c1)n1ccn(S(=O)(=O)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one?
The InChIKey is MVESDYDITICIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O4S/c17-12-4-6-14(7-5-12)25(23,24)20-9-8-19(16(20)22)15(21)11-2-1-3-13(18)10-11/h1-10H.
What are the key properties of 1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one?
1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one has a molecular weight of 397.24 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorobenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).