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

C18H17NO3S — CID 90424128

IUPAC1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC=CC(=O)C2c2ccccc2)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
InChIKeyCOSRZEIZZQGQDV-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.87
Rot. Bonds3

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

1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one (PubChem CID 90424128) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
PubChem CID90424128
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC=CC(=O)C2c2ccccc2)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
InChIKeyCOSRZEIZZQGQDV-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

1-(4-methylphenyl)sulfonyl-2-phenylpyrrolidin-3-one
CID 86002564
1-(4-methylphenyl)sulfonyl-2-phenylaziridine
CID 576319
(5S,10S)-9-(4-methylphenyl)sulfonyl-10-phenyl-1-oxa-9-azaspiro[4.5]deca-3,6-diene
CID 11405951
1-(4-methylphenyl)sulfonyl-6-phenyl-2,6-dihydropyridin-3-one
CID 102530463
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
2-[1-(4-methylphenyl)sulfonyl-2-phenyl-2,5-dihydropyrrol-3-yl]-4,5-dihydro-1,3-oxazole
CID 168738375
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydropyridin-6-one
CID 122228868
1,4-bis-(4-methylphenyl)sulfonyl-2-phenyl-3-propan-2-ylidenepiperazine
CID 134851505
5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine
CID 102581556
1-(4-methylphenyl)sulfonyl-2-phenyl-3,4-bis(phenylselanyl)-2,5-dihydropyrrole
CID 122400645
1-(4-methylphenyl)sulfonyl-7-phenyl-2,3,4,7-tetrahydroazepine
CID 101056783
5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940995

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one (CID 90424128) is 1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one is Cc1ccc(S(=O)(=O)N2CC=CC(=O)C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one?
The InChIKey is COSRZEIZZQGQDV-UHFFFAOYSA-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.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one?
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 1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 90424128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).