2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine

C13H10FNO2S — CID 162654283

IUPAC2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1ccccn1)c1cccc(F)c1
InChIInChI=1S/C13H10FNO2S/c14-11-4-3-6-13(10-11)18(16,17)9-7-12-5-1-2-8-15-12/h1-10H/b9-7+
InChIKeyQNSQOAJTHXYYAL-VQHVLOKHSA-N
MW263.29 g/mol
LogP2.67
Rot. Bonds3

About 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine

2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine (PubChem CID 162654283) has the molecular formula C13H10FNO2S and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine.

Molecular Properties

Compound Name2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
PubChem CID162654283
Molecular FormulaC13H10FNO2S
Molecular Weight263.29 g/mol
Exact Mass263.04
IUPAC Name2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine
SMILESO=S(=O)(/C=C/c1ccccn1)c1cccc(F)c1
InChIInChI=1S/C13H10FNO2S/c14-11-4-3-6-13(10-11)18(16,17)9-7-12-5-1-2-8-15-12/h1-10H/b9-7+
InChIKeyQNSQOAJTHXYYAL-VQHVLOKHSA-N
XLogP2.67
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
The IUPAC name of 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine (CID 162654283) is 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine.
What is the SMILES notation for 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
The canonical SMILES for 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine is O=S(=O)(/C=C/c1ccccn1)c1cccc(F)c1.
What is the InChIKey of 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
The InChIKey is QNSQOAJTHXYYAL-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H10FNO2S/c14-11-4-3-6-13(10-11)18(16,17)9-7-12-5-1-2-8-15-12/h1-10H/b9-7+.
What are the key properties of 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine?
2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine has a molecular weight of 263.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-fluorophenyl)sulfonylethenyl]pyridine is sourced from PubChem (CID 162654283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).