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

C18H17NO3S — CID 102280475

IUPAC1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-7-9-16(10-8-14)23(21,22)19-12-11-17(18(20)13-19)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyHRPCLQUSUBXHRD-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.65
Rot. Bonds3

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

1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one (PubChem CID 102280475) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
PubChem CID102280475
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C(=O)C2)cc1
InChIInChI=1S/C18H17NO3S/c1-14-7-9-16(10-8-14)23(21,22)19-12-11-17(18(20)13-19)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3
InChIKeyHRPCLQUSUBXHRD-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)sulfonyl-5-phenyl-3,10-dihydro-1H-azepino[3,4-b]indole
CID 51357705
1-(4-methylphenyl)sulfonyl-4-[(4-phenylpiperazin-1-yl)methyl]-2,6-dihydropyridin-3-one
CID 91419991
1-(4-methylphenyl)sulfonyl-5-phenyl-2,3,4,7-tetrahydroazepine
CID 25193145
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 132990624
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11268113
3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenyl-2,5-dihydropyrrole
CID 135020021
1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
CID 102402863
3-(4-methylphenyl)sulfonyl-3-azabicyclo[4.2.0]octa-1(8),5-diene
CID 134866059
3-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 86224949
2-(4-methylphenyl)sulfonyl-4-phenyl-1,3,6,6a-tetrahydrocyclopenta[c]pyrrol-5-one
CID 11783164
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101387033

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one (CID 102280475) is 1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one is Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)C(=O)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one?
The InChIKey is HRPCLQUSUBXHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-14-7-9-16(10-8-14)23(21,22)19-12-11-17(18(20)13-19)15-5-3-2-4-6-15/h2-11H,12-13H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one?
1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one has a molecular weight of 327.41 g/mol, XLogP of 2.65, 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-4-phenyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 102280475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).