4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine

C16H21F3N2O2S — CID 91910155

IUPAC4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C16H21F3N2O2S/c17-16(18,19)14-3-1-2-4-15(14)24(22,23)21-9-6-12(7-10-21)13-5-8-20-11-13/h1-4,12-13,20H,5-11H2
InChIKeyAXCWCINODNXYBS-UHFFFAOYSA-N
MW362.42 g/mol
LogP2.72
Rot. Bonds3

About 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine

4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 91910155) has the molecular formula C16H21F3N2O2S and a molecular weight of 362.42 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID91910155
Molecular FormulaC16H21F3N2O2S
Molecular Weight362.42 g/mol
Exact Mass362.13
IUPAC Name4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N1CCC(C2CCNC2)CC1
InChIInChI=1S/C16H21F3N2O2S/c17-16(18,19)14-3-1-2-4-15(14)24(22,23)21-9-6-12(7-10-21)13-5-8-20-11-13/h1-4,12-13,20H,5-11H2
InChIKeyAXCWCINODNXYBS-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine 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

N-(2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 2738507
N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 2773944
N-[[4-[2-(3,3-difluoropyrrolidin-1-yl)sulfonylphenyl]phenyl]methyl]-2-methylpropan-1-amine
CID 53465411
4-(Pyrrolidin-3-YL)-1-[4-(trifluoromethyl)benzenesulfonyl]piperidine
CID 91910156
N1-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-3-(trifluoromethyl)benzene-1-sulfonamide
CID 2802670
N-(1-Benzyl-piperidin-4-ylmethyl)-2-trifluoromethyl-benzenesulfonamide
CID 3232198
2-{[2-(Trifluoromethyl)phenyl]sulfonyl}-2,7-diazaspiro[4.5]decane
CID 56755391
1-[2-(Trifluoromethyl)benzenesulfonyl]piperazine
CID 2384691
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2810733
N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 8007764
4-fluoro-N-((1-isopropylpiperidin-4-yl)methyl)-3-methylbenzenesulfonamide
CID 16887557
N-((1-cyclopentylpiperidin-4-yl)methyl)-4-fluoro-2-methylbenzenesulfonamide
CID 16887728

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 91910155) is 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine is O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(C2CCNC2)CC1.
What is the InChIKey of 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is AXCWCINODNXYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2S/c17-16(18,19)14-3-1-2-4-15(14)24(22,23)21-9-6-12(7-10-21)13-5-8-20-11-13/h1-4,12-13,20H,5-11H2.
What are the key properties of 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 362.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 91910155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).