4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one

C30H23F2NO3S — CID 155907206

IUPAC4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)C(c3ccccc3F)=C(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C30H23F2NO3S/c1-20-15-17-22(18-16-20)37(35,36)33-19-25(21-9-3-2-4-10-21)28(23-11-5-7-13-26(23)31)29(30(33)34)24-12-6-8-14-27(24)32/h2-18,25H,19H2,1H3
InChIKeyGYMCZPUFYAEGPL-UHFFFAOYSA-N
MW515.58 g/mol
LogP6.20
Rot. Bonds5

About 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one

4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one (PubChem CID 155907206) has the molecular formula C30H23F2NO3S and a molecular weight of 515.58 g/mol. Its IUPAC name is 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one
PubChem CID155907206
Molecular FormulaC30H23F2NO3S
Molecular Weight515.58 g/mol
Exact Mass515.14
IUPAC Name4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)C(c3ccccc3F)=C(c3ccccc3F)C2=O)cc1
InChIInChI=1S/C30H23F2NO3S/c1-20-15-17-22(18-16-20)37(35,36)33-19-25(21-9-3-2-4-10-21)28(23-11-5-7-13-26(23)31)29(30(33)34)24-12-6-8-14-27(24)32/h2-18,25H,19H2,1H3
InChIKeyGYMCZPUFYAEGPL-UHFFFAOYSA-N
XLogP6.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.58
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-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-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907297
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907261
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
2-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-2,3-dihydro-1H-1,4-benzodiazepin-5-one
CID 57326435
5-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 101493504
4-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyrrole
CID 54671505
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-benzo[g][3]benzazepin-2-one
CID 155907204
(2S,3S)-2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenylaziridine
CID 24764030
8-methoxy-3-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1H-3-benzazepin-2-one
CID 155907231
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
2-(4-methylphenyl)sulfonyl-3-phenyloxaziridine
CID 10967742

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one?
The IUPAC name of 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one (CID 155907206) is 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)C(c3ccccc3F)=C(c3ccccc3F)C2=O)cc1.
What is the InChIKey of 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one?
The InChIKey is GYMCZPUFYAEGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2NO3S/c1-20-15-17-22(18-16-20)37(35,36)33-19-25(21-9-3-2-4-10-21)28(23-11-5-7-13-26(23)31)29(30(33)34)24-12-6-8-14-27(24)32/h2-18,25H,19H2,1H3.
What are the key properties of 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one?
4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one has a molecular weight of 515.58 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 155907206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).