(5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine

C25H24F3NO3S — CID 138971571

IUPAC(5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine
SMILESCc1ccc(S(=O)(=O)N2C[C@H](OC(F)(F)F)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C25H24F3NO3S/c1-19-12-14-23(15-13-19)33(30,31)29-17-22(32-25(26,27)28)16-24(18-29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3/t22-/m1/s1
InChIKeyKKOSTPNTMQGEPH-JOCHJYFZSA-N
MW475.53 g/mol
LogP5.28
Rot. Bonds5

About (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine

(5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine (PubChem CID 138971571) has the molecular formula C25H24F3NO3S and a molecular weight of 475.53 g/mol. Its IUPAC name is (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine.

Molecular Properties

Compound Name(5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine
PubChem CID138971571
Molecular FormulaC25H24F3NO3S
Molecular Weight475.53 g/mol
Exact Mass475.14
IUPAC Name(5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine
SMILESCc1ccc(S(=O)(=O)N2C[C@H](OC(F)(F)F)CC(c3ccccc3)(c3ccccc3)C2)cc1
InChIInChI=1S/C25H24F3NO3S/c1-19-12-14-23(15-13-19)33(30,31)29-17-22(32-25(26,27)28)16-24(18-29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3/t22-/m1/s1
InChIKeyKKOSTPNTMQGEPH-JOCHJYFZSA-N
XLogP5.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.53
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine 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

2-(2-Phenylethyl)-4-(phenylsulfonyl)morpholine
CID 45199529
5-Fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine
CID 102167205
3-Fluoro-3-methyl-1-(4-methylphenyl)sulfonyl-5,5-diphenylpiperidine
CID 122380273
5,5-Diphenyl-1-tosylpiperidin-3-yl 2,2,2-trifluoroacetate
CID 132276660
3,3-Dimethyl-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine
CID 132568757
(5S)-5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine
CID 134947088
[(3R,5R)-1-(4-methylphenyl)sulfonyl-5-phenylpiperidin-3-yl] trifluoromethanesulfinate
CID 135033347
[2-(4-Methylphenyl)sulfonyl-2-azaspiro[5.5]undecan-4-yl] trifluoromethanesulfinate
CID 135033349
(5R)-5-fluoro-1-(4-methylphenyl)sulfonyl-3,3-diphenylpiperidine
CID 135063630
(5R)-3,3-bis(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-(trifluoromethoxy)piperidine
CID 138971572
[(3R)-5,5-bis(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpiperidin-3-yl] acetate
CID 138980637
(2R,6S)-2-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-6-(trifluoromethyl)morpholine
CID 164674839

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine?
The IUPAC name of (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine (CID 138971571) is (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine.
What is the SMILES notation for (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine?
The canonical SMILES for (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine is Cc1ccc(S(=O)(=O)N2C[C@H](OC(F)(F)F)CC(c3ccccc3)(c3ccccc3)C2)cc1.
What is the InChIKey of (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine?
The InChIKey is KKOSTPNTMQGEPH-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24F3NO3S/c1-19-12-14-23(15-13-19)33(30,31)29-17-22(32-25(26,27)28)16-24(18-29,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-15,22H,16-18H2,1H3/t22-/m1/s1.
What are the key properties of (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine?
(5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine has a molecular weight of 475.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(4-methylphenyl)sulfonyl-3,3-diphenyl-5-(trifluoromethoxy)piperidine is sourced from PubChem (CID 138971571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).