(3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one

C30H24FNO3S — CID 146162581

IUPAC(3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)[C@@H](c3ccccc3)[C@H](c3ccc(F)cc3)C=C2c2ccccc2)cc1
InChIInChI=1S/C30H24FNO3S/c1-21-12-18-26(19-13-21)36(34,35)32-28(23-8-4-2-5-9-23)20-27(22-14-16-25(31)17-15-22)29(30(32)33)24-10-6-3-7-11-24/h2-20,27,29H,1H3/t27-,29-/m0/s1
InChIKeyJKXCJQLWBZCMMK-YTMVLYRLSA-N
MW497.59 g/mol
LogP6.27
Rot. Bonds5

About (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one

(3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one (PubChem CID 146162581) has the molecular formula C30H24FNO3S and a molecular weight of 497.59 g/mol. Its IUPAC name is (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name(3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one
PubChem CID146162581
Molecular FormulaC30H24FNO3S
Molecular Weight497.59 g/mol
Exact Mass497.15
IUPAC Name(3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)[C@@H](c3ccccc3)[C@H](c3ccc(F)cc3)C=C2c2ccccc2)cc1
InChIInChI=1S/C30H24FNO3S/c1-21-12-18-26(19-13-21)36(34,35)32-28(23-8-4-2-5-9-23)20-27(22-14-16-25(31)17-15-22)29(30(32)33)24-10-6-3-7-11-24/h2-20,27,29H,1H3/t27-,29-/m0/s1
InChIKeyJKXCJQLWBZCMMK-YTMVLYRLSA-N
XLogP6.27
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.59
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one?
The IUPAC name of (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one (CID 146162581) is (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one is Cc1ccc(S(=O)(=O)N2C(=O)[C@@H](c3ccccc3)[C@H](c3ccc(F)cc3)C=C2c2ccccc2)cc1.
What is the InChIKey of (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one?
The InChIKey is JKXCJQLWBZCMMK-YTMVLYRLSA-N. The full InChI is InChI=1S/C30H24FNO3S/c1-21-12-18-26(19-13-21)36(34,35)32-28(23-8-4-2-5-9-23)20-27(22-14-16-25(31)17-15-22)29(30(32)33)24-10-6-3-7-11-24/h2-20,27,29H,1H3/t27-,29-/m0/s1.
What are the key properties of (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one?
(3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one has a molecular weight of 497.59 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-diphenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 146162581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).