1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone

C19H19NO3S — CID 51358989

IUPAC1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H19NO3S/c1-15(21)17-12-13-19(16-8-4-2-5-9-16)20(14-17)24(22,23)18-10-6-3-7-11-18/h2-12,19H,13-14H2,1H3
InChIKeyWYLOJAYZCULHLF-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.34
Rot. Bonds4

About 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone

1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone (PubChem CID 51358989) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
PubChem CID51358989
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
SMILESCC(=O)C1=CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1
InChIInChI=1S/C19H19NO3S/c1-15(21)17-12-13-19(16-8-4-2-5-9-16)20(14-17)24(22,23)18-10-6-3-7-11-18/h2-12,19H,13-14H2,1H3
InChIKeyWYLOJAYZCULHLF-UHFFFAOYSA-N
XLogP3.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469236
(2S)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469231
methyl (2R)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 58361055
(2R)-1-(4-nitrophenyl)sulfonyl-2-phenyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 146469234
1-[2-(4-chlorophenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 51359079
2-(4-chlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 16656355
(2S)-2-(4-methylphenyl)-1-(2-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 25102704
1-(benzenesulfonyl)-2-phenylaziridine
CID 576325
ethyl (2S)-1-(4-methylphenyl)sulfonyl-2-pyridin-4-yl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 51359084
N-[4-(2-phenylaziridin-1-yl)sulfonylphenyl]acetamide
CID 24882129
1-[(2R)-3-(benzenesulfonyl)-2-phenylimidazolidin-1-yl]ethanone
CID 742548
ethyl 2-phenyl-1-(2-trimethylsilylethylsulfonyl)-3,6-dihydro-2H-pyridine-5-carboxylate
CID 6610189

Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone (CID 51358989) is 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone is CC(=O)C1=CCC(c2ccccc2)N(S(=O)(=O)c2ccccc2)C1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
The InChIKey is WYLOJAYZCULHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-15(21)17-12-13-19(16-8-4-2-5-9-16)20(14-17)24(22,23)18-10-6-3-7-11-18/h2-12,19H,13-14H2,1H3.
What are the key properties of 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone?
1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone has a molecular weight of 341.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-2-phenyl-3,6-dihydro-2H-pyridin-5-yl]ethanone is sourced from PubChem (CID 51358989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).