(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one

C18H17NO3S — CID 90436581

IUPAC(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC=CC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(20)18(19)15-6-3-2-4-7-15/h2-12,18H,13H2,1H3/t18-/m0/s1
InChIKeyCOSRZEIZZQGQDV-SFHVURJKSA-N
MW327.41 g/mol
LogP2.87
Rot. Bonds3

About (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one

(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one (PubChem CID 90436581) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
PubChem CID90436581
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC=CC(=O)[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(20)18(19)15-6-3-2-4-7-15/h2-12,18H,13H2,1H3/t18-/m0/s1
InChIKeyCOSRZEIZZQGQDV-SFHVURJKSA-N
XLogP2.87
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one (CID 90436581) is (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one is Cc1ccc(S(=O)(=O)N2CC=CC(=O)[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one?
The InChIKey is COSRZEIZZQGQDV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-14-9-11-16(12-10-14)23(21,22)19-13-5-8-17(20)18(19)15-6-3-2-4-7-15/h2-12,18H,13H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one?
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one has a molecular weight of 327.41 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 90436581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).