1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one

C17H12Cl2N2O4S — CID 8593771

IUPAC1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)c3cc(Cl)ccc3Cl)c2=O)cc1
InChIInChI=1S/C17H12Cl2N2O4S/c1-11-2-5-13(6-3-11)26(24,25)21-9-8-20(17(21)23)16(22)14-10-12(18)4-7-15(14)19/h2-10H,1H3
InChIKeySTXMYVIFDXBRQV-UHFFFAOYSA-N
MW411.27 g/mol
LogP3.19
Rot. Bonds3

About 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one

1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one (PubChem CID 8593771) has the molecular formula C17H12Cl2N2O4S and a molecular weight of 411.27 g/mol. Its IUPAC name is 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
PubChem CID8593771
Molecular FormulaC17H12Cl2N2O4S
Molecular Weight411.27 g/mol
Exact Mass409.99
IUPAC Name1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)c3cc(Cl)ccc3Cl)c2=O)cc1
InChIInChI=1S/C17H12Cl2N2O4S/c1-11-2-5-13(6-3-11)26(24,25)21-9-8-20(17(21)23)16(22)14-10-12(18)4-7-15(14)19/h2-10H,1H3
InChIKeySTXMYVIFDXBRQV-UHFFFAOYSA-N
XLogP3.19
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 18569068
1-(4-chlorophenyl)sulfonyl-3-(2-methoxybenzoyl)imidazol-2-one
CID 8593853
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-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593852
1-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593806
1-butanoyl-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593820
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
1-(4-chlorophenyl)sulfonyl-3-(3,3-dimethylbutanoyl)imidazol-2-one
CID 8593825
1-(4-chlorophenyl)sulfonyl-3-(4-nitrobenzoyl)imidazol-2-one
CID 8593869
1-(4-chlorophenyl)sulfonyl-3-(2-propylpentanoyl)imidazol-2-one
CID 8593827
1-(4-chlorophenyl)sulfonyl-3-(3-nitrobenzoyl)imidazol-2-one
CID 8593868

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one (CID 8593771) is 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one is Cc1ccc(S(=O)(=O)n2ccn(C(=O)c3cc(Cl)ccc3Cl)c2=O)cc1.
What is the InChIKey of 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The InChIKey is STXMYVIFDXBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O4S/c1-11-2-5-13(6-3-11)26(24,25)21-9-8-20(17(21)23)16(22)14-10-12(18)4-7-15(14)19/h2-10H,1H3.
What are the key properties of 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one has a molecular weight of 411.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 8593771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).