5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine

C13H9Cl2NO2S — CID 162659204

IUPAC5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1ccc(Cl)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2S/c14-10-2-5-13(6-3-10)19(17,18)8-7-12-4-1-11(15)9-16-12/h1-9H/b8-7+
InChIKeyGTTBSQCOYYZQIY-BQYQJAHWSA-N
MW314.19 g/mol
LogP3.83
Rot. Bonds3

About 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine

5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine (PubChem CID 162659204) has the molecular formula C13H9Cl2NO2S and a molecular weight of 314.19 g/mol. Its IUPAC name is 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
PubChem CID162659204
Molecular FormulaC13H9Cl2NO2S
Molecular Weight314.19 g/mol
Exact Mass312.97
IUPAC Name5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1ccc(Cl)cn1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2NO2S/c14-10-2-5-13(6-3-10)19(17,18)8-7-12-4-1-11(15)9-16-12/h1-9H/b8-7+
InChIKeyGTTBSQCOYYZQIY-BQYQJAHWSA-N
XLogP3.83
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine 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 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine (CID 162659204) is 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C/c1ccc(Cl)cn1)c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine?
The InChIKey is GTTBSQCOYYZQIY-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H9Cl2NO2S/c14-10-2-5-13(6-3-10)19(17,18)8-7-12-4-1-11(15)9-16-12/h1-9H/b8-7+.
What are the key properties of 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine?
5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine has a molecular weight of 314.19 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(E)-2-(4-chlorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 162659204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).