4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

C23H22F3NO2S2 — CID 24730894

IUPAC4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESO=S(=O)(c1ccc(-c2cccs2)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H22F3NO2S2/c24-23(25,26)19-4-1-3-17(15-19)16-27-12-10-21(11-13-27)31(28,29)20-8-6-18(7-9-20)22-5-2-14-30-22/h1-9,14-15,21H,10-13,16H2
InChIKeyJJXKTXCOJQTSNU-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.87
Rot. Bonds5

About 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine

4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (PubChem CID 24730894) has the molecular formula C23H22F3NO2S2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
PubChem CID24730894
Molecular FormulaC23H22F3NO2S2
Molecular Weight465.56 g/mol
Exact Mass465.10
IUPAC Name4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
SMILESO=S(=O)(c1ccc(-c2cccs2)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H22F3NO2S2/c24-23(25,26)19-4-1-3-17(15-19)16-27-12-10-21(11-13-27)31(28,29)20-8-6-18(7-9-20)22-5-2-14-30-22/h1-9,14-15,21H,10-13,16H2
InChIKeyJJXKTXCOJQTSNU-UHFFFAOYSA-N
XLogP5.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]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

4-[4-(2,4-dichlorophenyl)phenyl]sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 24731022
1-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-thiophen-2-ylphenyl)sulfonylpiperidine
CID 24730901
4-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 80679005
1-[(3-thiophen-2-ylphenyl)methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 134797395
(5-thiophen-2-yl-1H-pyrazol-3-yl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19514981
1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18093901
3-bromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 80677072
(3R)-1-[(4-thiophen-2-ylphenyl)methyl]-3-[[3-(trifluoromethoxy)phenyl]sulfonylmethyl]pyrrolidine
CID 153219831
1-[3-(trifluoromethyl)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 18761081
4-[[3-(trifluoromethyl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
CID 3325305
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
1-naphthalen-2-ylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 17023784

Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The IUPAC name of 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine (CID 24730894) is 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine.
What is the SMILES notation for 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The canonical SMILES for 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is O=S(=O)(c1ccc(-c2cccs2)cc1)C1CCN(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
The InChIKey is JJXKTXCOJQTSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO2S2/c24-23(25,26)19-4-1-3-17(15-19)16-27-12-10-21(11-13-27)31(28,29)20-8-6-18(7-9-20)22-5-2-14-30-22/h1-9,14-15,21H,10-13,16H2.
What are the key properties of 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine?
4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine has a molecular weight of 465.56 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylphenyl)sulfonyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine is sourced from PubChem (CID 24730894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).