4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride

C13H13Cl2NO2S — CID 3050824

IUPAC4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride
SMILESCl.O=S(=O)(CCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO2S.ClH/c14-12-1-3-13(4-2-12)18(16,17)10-7-11-5-8-15-9-6-11;/h1-6,8-9H,7,10H2;1H
InChIKeyATTQSYYNLMSSJL-UHFFFAOYSA-N
MW318.23 g/mol
LogP3.17
Rot. Bonds4

About 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride

4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride (PubChem CID 3050824) has the molecular formula C13H13Cl2NO2S and a molecular weight of 318.23 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride
PubChem CID3050824
Molecular FormulaC13H13Cl2NO2S
Molecular Weight318.23 g/mol
Exact Mass317.00
IUPAC Name4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride
SMILESCl.O=S(=O)(CCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C13H12ClNO2S.ClH/c14-12-1-3-13(4-2-12)18(16,17)10-7-11-5-8-15-9-6-11;/h1-6,8-9H,7,10H2;1H
InChIKeyATTQSYYNLMSSJL-UHFFFAOYSA-N
XLogP3.17
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride 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 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride?
The IUPAC name of 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride (CID 3050824) is 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride.
What is the SMILES notation for 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride?
The canonical SMILES for 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride is Cl.O=S(=O)(CCc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride?
The InChIKey is ATTQSYYNLMSSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S.ClH/c14-12-1-3-13(4-2-12)18(16,17)10-7-11-5-8-15-9-6-11;/h1-6,8-9H,7,10H2;1H.
What are the key properties of 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride?
4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride has a molecular weight of 318.23 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)sulfonylethyl]pyridine;hydrochloride is sourced from PubChem (CID 3050824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).