2-[4-(trifluoromethyl)phenyl]sulfonylpyridine

C12H8F3NO2S — CID 134863771

IUPAC2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)9-4-6-10(7-5-9)19(17,18)11-3-1-2-8-16-11/h1-8H
InChIKeyVLFQLEISCRTEJN-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.93
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine

2-[4-(trifluoromethyl)phenyl]sulfonylpyridine (PubChem CID 134863771) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
PubChem CID134863771
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name2-[4-(trifluoromethyl)phenyl]sulfonylpyridine
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)c1ccccn1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)9-4-6-10(7-5-9)19(17,18)11-3-1-2-8-16-11/h1-8H
InChIKeyVLFQLEISCRTEJN-UHFFFAOYSA-N
XLogP2.93
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine (CID 134863771) is 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine is O=S(=O)(c1ccc(C(F)(F)F)cc1)c1ccccn1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine?
The InChIKey is VLFQLEISCRTEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c13-12(14,15)9-4-6-10(7-5-9)19(17,18)11-3-1-2-8-16-11/h1-8H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine?
2-[4-(trifluoromethyl)phenyl]sulfonylpyridine has a molecular weight of 287.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]sulfonylpyridine is sourced from PubChem (CID 134863771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).