(3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol

C31H26F3NO3S — CID 162414046

IUPAC(3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)=C(c3ccccc3)[C@](O)(c3cccc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C31H26F3NO3S/c1-22-15-17-27(18-16-22)39(37,38)35-20-28(23-9-4-2-5-10-23)29(24-11-6-3-7-12-24)30(36,21-35)25-13-8-14-26(19-25)31(32,33)34/h2-19,36H,20-21H2,1H3/t30-/m1/s1
InChIKeyMJPAERPUNSDIQO-SSEXGKCCSA-N
MW549.61 g/mol
LogP6.52
Rot. Bonds5

About (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol

(3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol (PubChem CID 162414046) has the molecular formula C31H26F3NO3S and a molecular weight of 549.61 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol
PubChem CID162414046
Molecular FormulaC31H26F3NO3S
Molecular Weight549.61 g/mol
Exact Mass549.16
IUPAC Name(3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol
SMILESCc1ccc(S(=O)(=O)N2CC(c3ccccc3)=C(c3ccccc3)[C@](O)(c3cccc(C(F)(F)F)c3)C2)cc1
InChIInChI=1S/C31H26F3NO3S/c1-22-15-17-27(18-16-22)39(37,38)35-20-28(23-9-4-2-5-10-23)29(24-11-6-3-7-12-24)30(36,21-35)25-13-8-14-26(19-25)31(32,33)34/h2-19,36H,20-21H2,1H3/t30-/m1/s1
InChIKeyMJPAERPUNSDIQO-SSEXGKCCSA-N
XLogP6.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.61
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidine-4-carbonyl chloride
CID 20511834
(3S,4R)-3-amino-1-(4-methylphenyl)sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 102386042
3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenyl-2,5-dihydropyrrole
CID 135020021
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 24677649
6-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)-5,7-dihydrobenzo[d][2]benzazepine
CID 122218585
[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 30796899
1-(3,3-diphenylpropyl)-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 58182491
2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
1-(4-methylphenyl)sulfonyl-3-phenyl-4-[4-(trifluoromethyl)phenyl]pyrrole
CID 134950378
1-(4-methylphenyl)sulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 26241503
1-(4-methylphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]aziridine
CID 59485705
1-(4-methylphenyl)sulfonyl-5-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-3-ol
CID 101392963

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol?
The IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol (CID 162414046) is (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol.
What is the SMILES notation for (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol?
The canonical SMILES for (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol is Cc1ccc(S(=O)(=O)N2CC(c3ccccc3)=C(c3ccccc3)[C@](O)(c3cccc(C(F)(F)F)c3)C2)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol?
The InChIKey is MJPAERPUNSDIQO-SSEXGKCCSA-N. The full InChI is InChI=1S/C31H26F3NO3S/c1-22-15-17-27(18-16-22)39(37,38)35-20-28(23-9-4-2-5-10-23)29(24-11-6-3-7-12-24)30(36,21-35)25-13-8-14-26(19-25)31(32,33)34/h2-19,36H,20-21H2,1H3/t30-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol?
(3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol has a molecular weight of 549.61 g/mol, XLogP of 6.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-3-[3-(trifluoromethyl)phenyl]-2,6-dihydropyridin-3-ol is sourced from PubChem (CID 162414046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).