3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one

C30H24ClNO3S — CID 155907261

About 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one

3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one (PubChem CID 155907261) has the molecular formula C30H24ClNO3S and a molecular weight of 514.05 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
• PubChem CID: 155907261
• Molecular Formula: C30H24ClNO3S
• Molecular Weight: 514.05 g/mol
• Exact Mass: 513.12
• IUPAC Name: 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
• SMILES: Cc1ccc(S(=O)(=O)N2CC(c3ccc(Cl)cc3)C(c3ccccc3)=C(c3ccccc3)C2=O)cc1
• InChI: InChI=1S/C30H24ClNO3S/c1-21-12-18-26(19-13-21)36(34,35)32-20-27(22-14-16-25(31)17-15-22)28(23-8-4-2-5-9-23)29(30(32)33)24-10-6-3-7-11-24/h2-19,27H,20H2,1H3
• InChIKey: UMYULTGMYLPEMC-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 54.45 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.05
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one?

The IUPAC name of 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one (CID 155907261) is 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one.

What is the SMILES notation for 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one?

The canonical SMILES for 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one is Cc1ccc(S(=O)(=O)N2CC(c3ccc(Cl)cc3)C(c3ccccc3)=C(c3ccccc3)C2=O)cc1.

What is the InChIKey of 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one?

The InChIKey is UMYULTGMYLPEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClNO3S/c1-21-12-18-26(19-13-21)36(34,35)32-20-27(22-14-16-25(31)17-15-22)28(23-8-4-2-5-9-23)29(30(32)33)24-10-6-3-7-11-24/h2-19,27H,20H2,1H3.

What are the key properties of 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one?

3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one has a molecular weight of 514.05 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 155907261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).