(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

C19H19NO3S — CID 38295435

IUPAC(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C19H19NO3S/c1-24(22,23)18-9-5-8-17(14-18)19(21)20-12-10-16(11-13-20)15-6-3-2-4-7-15/h2-10,14H,11-13H2,1H3
InChIKeyLNFDJUYJCWUPEK-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.02
Rot. Bonds3

About (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone

(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 38295435) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID38295435
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Name(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1
InChIInChI=1S/C19H19NO3S/c1-24(22,23)18-9-5-8-17(14-18)19(21)20-12-10-16(11-13-20)15-6-3-2-4-7-15/h2-10,14H,11-13H2,1H3
InChIKeyLNFDJUYJCWUPEK-UHFFFAOYSA-N
XLogP3.02
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methoxy-N-methyl-3-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)benzenesulfonamide
CID 38168338
[3-(methoxymethyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38168300
1-(3-methylsulfonylbenzoyl)piperidin-4-one
CID 22397490
(3,4-dichlorophenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2568947
[4-(difluoromethylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167129
(2-fluoro-4-pyridinyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 61292889
[4-(dimethylamino)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38167889
N-methyl-4-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)furan-2-sulfonamide
CID 75514098
[4-(3-methylsulfonylphenyl)-3,6-dihydro-2H-pyridin-1-yl]phosphane
CID 145237067
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
1-[5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 38298373
[3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 26877544

Frequently Asked Questions

What is the IUPAC name of (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 38295435) is (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is CS(=O)(=O)c1cccc(C(=O)N2CC=C(c3ccccc3)CC2)c1.
What is the InChIKey of (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is LNFDJUYJCWUPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-24(22,23)18-9-5-8-17(14-18)19(21)20-12-10-16(11-13-20)15-6-3-2-4-7-15/h2-10,14H,11-13H2,1H3.
What are the key properties of (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone?
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 341.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 38295435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).