4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine

C13H17F2NO2S — CID 167845563

IUPAC4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine
SMILESO=S(=O)(CCc1cccc(F)c1F)C1CCNCC1
InChIInChI=1S/C13H17F2NO2S/c14-12-3-1-2-10(13(12)15)6-9-19(17,18)11-4-7-16-8-5-11/h1-3,11,16H,4-9H2
InChIKeyJKHZJKVSCYYUHM-UHFFFAOYSA-N
MW289.35 g/mol
LogP1.67
Rot. Bonds4

About 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine

4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine (PubChem CID 167845563) has the molecular formula C13H17F2NO2S and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine.

Molecular Properties

Compound Name4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine
PubChem CID167845563
Molecular FormulaC13H17F2NO2S
Molecular Weight289.35 g/mol
Exact Mass289.09
IUPAC Name4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine
SMILESO=S(=O)(CCc1cccc(F)c1F)C1CCNCC1
InChIInChI=1S/C13H17F2NO2S/c14-12-3-1-2-10(13(12)15)6-9-19(17,18)11-4-7-16-8-5-11/h1-3,11,16H,4-9H2
InChIKeyJKHZJKVSCYYUHM-UHFFFAOYSA-N
XLogP1.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine?
The IUPAC name of 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine (CID 167845563) is 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine.
What is the SMILES notation for 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine?
The canonical SMILES for 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine is O=S(=O)(CCc1cccc(F)c1F)C1CCNCC1.
What is the InChIKey of 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine?
The InChIKey is JKHZJKVSCYYUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2S/c14-12-3-1-2-10(13(12)15)6-9-19(17,18)11-4-7-16-8-5-11/h1-3,11,16H,4-9H2.
What are the key properties of 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine?
4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine has a molecular weight of 289.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-difluorophenyl)ethylsulfonyl]piperidine is sourced from PubChem (CID 167845563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).