1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one

C17H13BrN2O4S — CID 18569068

IUPAC1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)c3ccccc3Br)c2=O)cc1
InChIInChI=1S/C17H13BrN2O4S/c1-12-6-8-13(9-7-12)25(23,24)20-11-10-19(17(20)22)16(21)14-4-2-3-5-15(14)18/h2-11H,1H3
InChIKeyIVCLMPLIPZQXNH-UHFFFAOYSA-N
MW421.27 g/mol
LogP2.65
Rot. Bonds3

About 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one

1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one (PubChem CID 18569068) has the molecular formula C17H13BrN2O4S and a molecular weight of 421.27 g/mol. Its IUPAC name is 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one.

Molecular Properties

Compound Name1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
PubChem CID18569068
Molecular FormulaC17H13BrN2O4S
Molecular Weight421.27 g/mol
Exact Mass419.98
IUPAC Name1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
SMILESCc1ccc(S(=O)(=O)n2ccn(C(=O)c3ccccc3Br)c2=O)cc1
InChIInChI=1S/C17H13BrN2O4S/c1-12-6-8-13(9-7-12)25(23,24)20-11-10-19(17(20)22)16(21)14-4-2-3-5-15(14)18/h2-11H,1H3
InChIKeyIVCLMPLIPZQXNH-UHFFFAOYSA-N
XLogP2.65
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-(1-benzofuran-2-carbonyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593806
1-(2-methoxyacetyl)-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8593738
ethyl 4-[3-(4-methylphenyl)sulfonyl-2-oxoimidazol-1-yl]-4-oxobutanoate
CID 8593740
1-(4-chlorophenyl)sulfonyl-3-(3,4-dimethylbenzoyl)imidazol-2-one
CID 8593851
1-(4-tert-butylbenzoyl)-3-(4-chlorophenyl)sulfonylimidazol-2-one
CID 8593852
1-[(4-bromophenyl)methyl]-3-(4-methylphenyl)sulfonylimidazol-2-one
CID 8594086
ethyl 3-(4-methoxyphenyl)sulfonyl-2-oxoimidazole-1-carboxylate
CID 8593958
1-(benzenesulfonyl)-3-bromo-2-methylpyrrole
CID 123539756
2,3-dimethyl-1-(4-methylphenyl)sulfonylpyrrole
CID 102326520
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The IUPAC name of 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one (CID 18569068) is 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one.
What is the SMILES notation for 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The canonical SMILES for 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one is Cc1ccc(S(=O)(=O)n2ccn(C(=O)c3ccccc3Br)c2=O)cc1.
What is the InChIKey of 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
The InChIKey is IVCLMPLIPZQXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O4S/c1-12-6-8-13(9-7-12)25(23,24)20-11-10-19(17(20)22)16(21)14-4-2-3-5-15(14)18/h2-11H,1H3.
What are the key properties of 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one?
1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one has a molecular weight of 421.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromobenzoyl)-3-(4-methylphenyl)sulfonylimidazol-2-one is sourced from PubChem (CID 18569068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).