2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine

C13H9ClFNO2S — CID 150929023

IUPAC2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine
SMILESO=S(=O)(/C=C/c1ncccc1F)c1ccccc1Cl
InChIInChI=1S/C13H9ClFNO2S/c14-10-4-1-2-6-13(10)19(17,18)9-7-12-11(15)5-3-8-16-12/h1-9H/b9-7+
InChIKeyLFPWIMWBXKJPJS-VQHVLOKHSA-N
MW297.74 g/mol
LogP3.32
Rot. Bonds3

About 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine

2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine (PubChem CID 150929023) has the molecular formula C13H9ClFNO2S and a molecular weight of 297.74 g/mol. Its IUPAC name is 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine.

Molecular Properties

Compound Name2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine
PubChem CID150929023
Molecular FormulaC13H9ClFNO2S
Molecular Weight297.74 g/mol
Exact Mass297.00
IUPAC Name2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine
SMILESO=S(=O)(/C=C/c1ncccc1F)c1ccccc1Cl
InChIInChI=1S/C13H9ClFNO2S/c14-10-4-1-2-6-13(10)19(17,18)9-7-12-11(15)5-3-8-16-12/h1-9H/b9-7+
InChIKeyLFPWIMWBXKJPJS-VQHVLOKHSA-N
XLogP3.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine 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-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine?
The IUPAC name of 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine (CID 150929023) is 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine.
What is the SMILES notation for 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine?
The canonical SMILES for 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine is O=S(=O)(/C=C/c1ncccc1F)c1ccccc1Cl.
What is the InChIKey of 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine?
The InChIKey is LFPWIMWBXKJPJS-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H9ClFNO2S/c14-10-4-1-2-6-13(10)19(17,18)9-7-12-11(15)5-3-8-16-12/h1-9H/b9-7+.
What are the key properties of 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine?
2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine has a molecular weight of 297.74 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-chlorophenyl)sulfonylethenyl]-3-fluoropyridine is sourced from PubChem (CID 150929023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).