2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine

C13H16ClF2NO2S — CID 63397673

IUPAC2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCCCC1CCCl
InChIInChI=1S/C13H16ClF2NO2S/c14-7-6-11-3-1-2-8-17(11)20(18,19)13-5-4-10(15)9-12(13)16/h4-5,9,11H,1-3,6-8H2
InChIKeyJPJBOKZYWZAQNW-UHFFFAOYSA-N
MW323.79 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine

2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine (PubChem CID 63397673) has the molecular formula C13H16ClF2NO2S and a molecular weight of 323.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine
PubChem CID63397673
Molecular FormulaC13H16ClF2NO2S
Molecular Weight323.79 g/mol
Exact Mass323.06
IUPAC Name2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine
SMILESO=S(=O)(c1ccc(F)cc1F)N1CCCCC1CCCl
InChIInChI=1S/C13H16ClF2NO2S/c14-7-6-11-3-1-2-8-17(11)20(18,19)13-5-4-10(15)9-12(13)16/h4-5,9,11H,1-3,6-8H2
InChIKeyJPJBOKZYWZAQNW-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.79
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1-(2,4-difluorophenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969239
2-[1-(4-chloro-2-fluorophenyl)sulfonylpiperidin-2-yl]ethanol
CID 60957878
1-[1-(2,4-difluorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119990956
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylazepane
CID 116639751
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine
CID 63397490
2-(2-bromoethyl)-1-(2,5-difluorophenyl)sulfonylpiperidine
CID 80671795
2-(chloromethyl)-1-(5-fluoro-2-methylphenyl)sulfonylazepane
CID 116639765
2-(2-chloroethyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine
CID 63397489
2-(chloromethyl)-1-(2,5-difluorophenyl)sulfonylpyrrolidine
CID 63397513
1-(4-bromo-2-fluorophenyl)sulfonyl-2-(bromomethyl)piperidine
CID 116530001
4-fluoro-2-(2-propylpiperidin-1-yl)sulfonylaniline
CID 83052783
1-(2-fluorophenyl)sulfonyl-2-propylpiperidine
CID 83052559

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine?
The IUPAC name of 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine (CID 63397673) is 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine is O=S(=O)(c1ccc(F)cc1F)N1CCCCC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine?
The InChIKey is JPJBOKZYWZAQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO2S/c14-7-6-11-3-1-2-8-17(11)20(18,19)13-5-4-10(15)9-12(13)16/h4-5,9,11H,1-3,6-8H2.
What are the key properties of 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine?
2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine has a molecular weight of 323.79 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2,4-difluorophenyl)sulfonylpiperidine is sourced from PubChem (CID 63397673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).