2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine

C14H19ClFNO2S — CID 63397027

IUPAC2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCCC1CCCl
InChIInChI=1S/C14H19ClFNO2S/c1-11-10-12(16)5-6-14(11)20(18,19)17-9-3-2-4-13(17)7-8-15/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyRZWGZSXBATWXHN-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.31
Rot. Bonds4

About 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine

2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine (PubChem CID 63397027) has the molecular formula C14H19ClFNO2S and a molecular weight of 319.83 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine
PubChem CID63397027
Molecular FormulaC14H19ClFNO2S
Molecular Weight319.83 g/mol
Exact Mass319.08
IUPAC Name2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCCCC1CCCl
InChIInChI=1S/C14H19ClFNO2S/c1-11-10-12(16)5-6-14(11)20(18,19)17-9-3-2-4-13(17)7-8-15/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyRZWGZSXBATWXHN-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine?
The IUPAC name of 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine (CID 63397027) is 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine is Cc1cc(F)ccc1S(=O)(=O)N1CCCCC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine?
The InChIKey is RZWGZSXBATWXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2S/c1-11-10-12(16)5-6-14(11)20(18,19)17-9-3-2-4-13(17)7-8-15/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of 2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine?
2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidine has a molecular weight of 319.83 g/mol, XLogP of 3.31, 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-(4-fluoro-2-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 63397027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).