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

C18H17NO3S — CID 122228868

IUPAC(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C=CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-10-12-16(13-11-14)23(21,22)19-17(8-5-9-18(19)20)15-6-3-2-4-7-15/h2-7,9-13,17H,8H2,1H3/t17-/m0/s1
InChIKeyGGXXCAKHBDSXPZ-KRWDZBQOSA-N
MW327.41 g/mol
LogP3.21
Rot. Bonds3

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

(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one (PubChem CID 122228868) 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-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
PubChem CID122228868
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)C=CC[C@H]2c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-10-12-16(13-11-14)23(21,22)19-17(8-5-9-18(19)20)15-6-3-2-4-7-15/h2-7,9-13,17H,8H2,1H3/t17-/m0/s1
InChIKeyGGXXCAKHBDSXPZ-KRWDZBQOSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-1-(4-methylphenyl)sulfonyl-2-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

1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(5S)-5-[(2S,4S)-3-(4-methylphenyl)sulfonyl-4-phenyl-1,3-oxazolidin-2-yl]cyclopent-2-en-1-one
CID 11825141
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
4-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydro-1,4-benzothiazepin-5-one
CID 102265160
(2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-4-propan-2-yl-2,3-dihydropyrrole
CID 12023220
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
CID 90424128
(2R,4R)-3-(4-methylphenyl)sulfonyl-2,4-diphenyl-1,3-oxazolidine
CID 102473250
2-(4-methylphenyl)sulfonyl-3-phenyl-1,2-thiazolidine
CID 86224665
(1S)-2-(4-methylphenyl)sulfonyl-1-phenyl-2-azaspiro[3.6]decan-3-one
CID 101161455
3-tert-butyl-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidin-2-one
CID 15418830
5-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydrobenzo[g]indole
CID 134946152

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one?
The IUPAC name of (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one (CID 122228868) is (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one?
The canonical SMILES for (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one is Cc1ccc(S(=O)(=O)N2C(=O)C=CC[C@H]2c2ccccc2)cc1.
What is the InChIKey of (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one?
The InChIKey is GGXXCAKHBDSXPZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-14-10-12-16(13-11-14)23(21,22)19-17(8-5-9-18(19)20)15-6-3-2-4-7-15/h2-7,9-13,17H,8H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one?
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one has a molecular weight of 327.41 g/mol, XLogP of 3.21, 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-2,3-dihydropyridin-6-one is sourced from PubChem (CID 122228868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).