[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone

C23H18N2O3S — CID 52941853

IUPAC[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cnc(-c3ccccc3)n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3S/c1-17-12-14-18(15-13-17)22(26)21-16-24-23(19-8-4-2-5-9-19)25(21)29(27,28)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyWLYQBYZEANJPCT-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.33
Rot. Bonds5

About [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone

[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone (PubChem CID 52941853) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone
PubChem CID52941853
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2cnc(-c3ccccc3)n2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N2O3S/c1-17-12-14-18(15-13-17)22(26)21-16-24-23(19-8-4-2-5-9-19)25(21)29(27,28)20-10-6-3-7-11-20/h2-16H,1H3
InChIKeyWLYQBYZEANJPCT-UHFFFAOYSA-N
XLogP4.33
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone?
The IUPAC name of [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone (CID 52941853) is [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2cnc(-c3ccccc3)n2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone?
The InChIKey is WLYQBYZEANJPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-17-12-14-18(15-13-17)22(26)21-16-24-23(19-8-4-2-5-9-19)25(21)29(27,28)20-10-6-3-7-11-20/h2-16H,1H3.
What are the key properties of [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone?
[3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone has a molecular weight of 402.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(benzenesulfonyl)-2-phenylimidazol-4-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 52941853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).