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

C18H17NO3S — CID 102530463

IUPAC1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)C=CC2c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-7-10-17(11-8-14)23(21,22)19-13-16(20)9-12-18(19)15-5-3-2-4-6-15/h2-12,18H,13H2,1H3
InChIKeyBFDLIMZZEKGFTC-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.87
Rot. Bonds3

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

1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one (PubChem CID 102530463) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
PubChem CID102530463
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC(=O)C=CC2c2ccccc2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-7-10-17(11-8-14)23(21,22)19-13-16(20)9-12-18(19)15-5-3-2-4-6-15/h2-12,18H,13H2,1H3
InChIKeyBFDLIMZZEKGFTC-UHFFFAOYSA-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

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Related Compounds

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1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
CID 90424128
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(2R,3S)-4-methylidene-1-(4-methylphenyl)sulfonyl-2,3-diphenylpyrrolidine
CID 131848674
1-(benzenesulfonyl)-5-(4-methylphenyl)pyrrolidin-3-one
CID 102590772
(5S,10S)-9-(4-methylphenyl)sulfonyl-10-phenyl-1-oxa-9-azaspiro[4.5]deca-3,6-diene
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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one (CID 102530463) is 1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one is Cc1ccc(S(=O)(=O)N2CC(=O)C=CC2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one?
The InChIKey is BFDLIMZZEKGFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-14-7-10-17(11-8-14)23(21,22)19-13-16(20)9-12-18(19)15-5-3-2-4-6-15/h2-12,18H,13H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one?
1-(4-methylphenyl)sulfonyl-6-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 1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 102530463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).