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

C31H27NO3S — CID 155907297

IUPAC3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccc(C)cc3)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C31H27NO3S/c1-22-13-17-24(18-14-22)28-21-32(36(34,35)27-19-15-23(2)16-20-27)31(33)30(26-11-7-4-8-12-26)29(28)25-9-5-3-6-10-25/h3-20,28H,21H2,1-2H3
InChIKeyCRISHRXKOXSXCR-UHFFFAOYSA-N
MW493.63 g/mol
LogP6.23
Rot. Bonds5

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

3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one (PubChem CID 155907297) has the molecular formula C31H27NO3S and a molecular weight of 493.63 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
PubChem CID155907297
Molecular FormulaC31H27NO3S
Molecular Weight493.63 g/mol
Exact Mass493.17
IUPAC Name3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
SMILESCc1ccc(C2CN(S(=O)(=O)c3ccc(C)cc3)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1
InChIInChI=1S/C31H27NO3S/c1-22-13-17-24(18-14-22)28-21-32(36(34,35)27-19-15-23(2)16-20-27)31(33)30(26-11-7-4-8-12-26)29(28)25-9-5-3-6-10-25/h3-20,28H,21H2,1-2H3
InChIKeyCRISHRXKOXSXCR-UHFFFAOYSA-N
XLogP6.23
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.63
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907261
4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one
CID 155907206
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
CID 102402863
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-1,4-benzodiazepin-5-one
CID 57326435
3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one
CID 155907204
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one
CID 155907231
5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine
CID 102581556
2-(4-methylphenyl)sulfonyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 11783164
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one?
The IUPAC name of 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one (CID 155907297) is 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one is Cc1ccc(C2CN(S(=O)(=O)c3ccc(C)cc3)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one?
The InChIKey is CRISHRXKOXSXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO3S/c1-22-13-17-24(18-14-22)28-21-32(36(34,35)27-19-15-23(2)16-20-27)31(33)30(26-11-7-4-8-12-26)29(28)25-9-5-3-6-10-25/h3-20,28H,21H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one?
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one has a molecular weight of 493.63 g/mol, XLogP of 6.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 155907297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).