2-[2-(2-chlorophenyl)sulfonylethyl]piperidine

C13H18ClNO2S — CID 112741660

IUPAC2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
SMILESO=S(=O)(CCC1CCCCN1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c14-12-6-1-2-7-13(12)18(16,17)10-8-11-5-3-4-9-15-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyXWZGNCBAKJRBEJ-UHFFFAOYSA-N
MW287.81 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine

2-[2-(2-chlorophenyl)sulfonylethyl]piperidine (PubChem CID 112741660) has the molecular formula C13H18ClNO2S and a molecular weight of 287.81 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
PubChem CID112741660
Molecular FormulaC13H18ClNO2S
Molecular Weight287.81 g/mol
Exact Mass287.07
IUPAC Name2-[2-(2-chlorophenyl)sulfonylethyl]piperidine
SMILESO=S(=O)(CCC1CCCCN1)c1ccccc1Cl
InChIInChI=1S/C13H18ClNO2S/c14-12-6-1-2-7-13(12)18(16,17)10-8-11-5-3-4-9-15-11/h1-2,6-7,11,15H,3-5,8-10H2
InChIKeyXWZGNCBAKJRBEJ-UHFFFAOYSA-N
XLogP2.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.81
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(benzenesulfonyl)ethyl]piperidine
CID 7061650
2-[2-(benzenesulfonyl)ethyl]piperidine;hydrochloride
CID 24747372
2-chloro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630491
N-(2-chloro-6-methylphenyl)-2-piperidin-2-ylethanesulfonamide
CID 66256676
2-[2-(4-bromophenyl)sulfonylethyl]piperidine
CID 134086037
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
3-chloro-2-fluoro-N-methyl-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 106630423
2-[(2,6-dichlorophenyl)sulfonylmethyl]pyrrolidine
CID 134086021
N-[(3-chlorophenyl)methyl]-2-piperidin-2-ylethanesulfonamide
CID 62532081
(2S)-2-[2-(2,6-dichlorophenyl)sulfanylethyl]piperidine
CID 97301377
2,3-dichloro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974073
2-[2-[(2-chlorophenyl)methoxy]ethyl]piperidine;hydrochloride
CID 56829905

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine?
The IUPAC name of 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine (CID 112741660) is 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine?
The canonical SMILES for 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine is O=S(=O)(CCC1CCCCN1)c1ccccc1Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine?
The InChIKey is XWZGNCBAKJRBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2S/c14-12-6-1-2-7-13(12)18(16,17)10-8-11-5-3-4-9-15-11/h1-2,6-7,11,15H,3-5,8-10H2.
What are the key properties of 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine?
2-[2-(2-chlorophenyl)sulfonylethyl]piperidine has a molecular weight of 287.81 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)sulfonylethyl]piperidine is sourced from PubChem (CID 112741660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).