1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone

C15H18F3NO3S — CID 18342564

IUPAC1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(CCS(=O)(=O)c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)14(20)19-9-6-12(7-10-19)8-11-23(21,22)13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyRXFKYYYVOHVOKU-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.65
Rot. Bonds4

About 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone

1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 18342564) has the molecular formula C15H18F3NO3S and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID18342564
Molecular FormulaC15H18F3NO3S
Molecular Weight349.37 g/mol
Exact Mass349.10
IUPAC Name1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone
SMILESO=C(N1CCC(CCS(=O)(=O)c2ccccc2)CC1)C(F)(F)F
InChIInChI=1S/C15H18F3NO3S/c16-15(17,18)14(20)19-9-6-12(7-10-19)8-11-23(21,22)13-4-2-1-3-5-13/h1-5,12H,6-11H2
InChIKeyRXFKYYYVOHVOKU-UHFFFAOYSA-N
XLogP2.65
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone 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-(Benzenesulfonyl)-1-piperidin-1-ylethanone
CID 975540
2-(Benzylsulfonyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 1094083
1-[4-(Benzenesulfonyl)-4-methylpentyl]-3-(trifluoromethyl)piperidine
CID 21048822
1-(Azepan-1-yl)-2-(benzenesulfonyl)ethanone
CID 851316
1-(2-Cyclopropyl-ethyl)-4-(4-fluoro-benzenesulfonylmethyl)-piperidine
CID 15147198
[1-(Benzenesulfonyl)cyclopent-3-en-1-yl]-piperidin-1-ylmethanone
CID 24816513
3-(Benzenesulfonyl)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 6459212
AC1Lgqzx
CID 875426
1-(4-(3,4-Difluorophenyl)piperidin-1-yl)-3-methanesulfonylpropan-1-one
CID 75369734
1-[3-(Benzylsulfonyl)propanoyl]-3-methylpiperidine
CID 2975730
1-[2-(Benzenesulfonyl)ethyl]piperidine-4-carboxamide
CID 2821924
2-(4-Methylphenyl)sulfanyl-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 2746770

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone (CID 18342564) is 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone is O=C(N1CCC(CCS(=O)(=O)c2ccccc2)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is RXFKYYYVOHVOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO3S/c16-15(17,18)14(20)19-9-6-12(7-10-19)8-11-23(21,22)13-4-2-1-3-5-13/h1-5,12H,6-11H2.
What are the key properties of 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone?
1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 349.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(benzenesulfonyl)ethyl]piperidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 18342564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).