2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine

C14H9F4NO2S — CID 155545372

IUPAC2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine
SMILESO=S(=O)(/C=C/c1ccccc1F)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H9F4NO2S/c15-12-6-2-1-4-10(12)7-9-22(20,21)13-11(14(16,17)18)5-3-8-19-13/h1-9H/b9-7+
InChIKeyJKRLFQIQUWQHNR-VQHVLOKHSA-N
MW331.29 g/mol
LogP3.68
Rot. Bonds3

About 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine

2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine (PubChem CID 155545372) has the molecular formula C14H9F4NO2S and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine
PubChem CID155545372
Molecular FormulaC14H9F4NO2S
Molecular Weight331.29 g/mol
Exact Mass331.03
IUPAC Name2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine
SMILESO=S(=O)(/C=C/c1ccccc1F)c1ncccc1C(F)(F)F
InChIInChI=1S/C14H9F4NO2S/c15-12-6-2-1-4-10(12)7-9-22(20,21)13-11(14(16,17)18)5-3-8-19-13/h1-9H/b9-7+
InChIKeyJKRLFQIQUWQHNR-VQHVLOKHSA-N
XLogP3.68
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine (CID 155545372) is 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine is O=S(=O)(/C=C/c1ccccc1F)c1ncccc1C(F)(F)F.
What is the InChIKey of 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine?
The InChIKey is JKRLFQIQUWQHNR-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H9F4NO2S/c15-12-6-2-1-4-10(12)7-9-22(20,21)13-11(14(16,17)18)5-3-8-19-13/h1-9H/b9-7+.
What are the key properties of 2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine?
2-[(E)-2-(2-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine has a molecular weight of 331.29 g/mol, XLogP of 3.68, 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-fluorophenyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 155545372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).