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

C13H8F4N2O2S — CID 155531909

IUPAC2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine
SMILESO=S(=O)(/C=C/c1ncccc1F)c1ncccc1C(F)(F)F
InChIInChI=1S/C13H8F4N2O2S/c14-10-4-2-6-18-11(10)5-8-22(20,21)12-9(13(15,16)17)3-1-7-19-12/h1-8H/b8-5+
InChIKeyRSIQPRGGGCHWBJ-VMPITWQZSA-N
MW332.28 g/mol
LogP3.08
Rot. Bonds3

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

2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine (PubChem CID 155531909) has the molecular formula C13H8F4N2O2S and a molecular weight of 332.28 g/mol. Its IUPAC name is 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine
PubChem CID155531909
Molecular FormulaC13H8F4N2O2S
Molecular Weight332.28 g/mol
Exact Mass332.02
IUPAC Name2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine
SMILESO=S(=O)(/C=C/c1ncccc1F)c1ncccc1C(F)(F)F
InChIInChI=1S/C13H8F4N2O2S/c14-10-4-2-6-18-11(10)5-8-22(20,21)12-9(13(15,16)17)3-1-7-19-12/h1-8H/b8-5+
InChIKeyRSIQPRGGGCHWBJ-VMPITWQZSA-N
XLogP3.08
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)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 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine (CID 155531909) is 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine is O=S(=O)(/C=C/c1ncccc1F)c1ncccc1C(F)(F)F.
What is the InChIKey of 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine?
The InChIKey is RSIQPRGGGCHWBJ-VMPITWQZSA-N. The full InChI is InChI=1S/C13H8F4N2O2S/c14-10-4-2-6-18-11(10)5-8-22(20,21)12-9(13(15,16)17)3-1-7-19-12/h1-8H/b8-5+.
What are the key properties of 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine?
2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine has a molecular weight of 332.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3-fluoro-2-pyridinyl)ethenyl]sulfonyl-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 155531909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).