2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine

C12H8F3NO2S — CID 2446951

IUPAC2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)9-6-7-11(16-8-9)19(17,18)10-4-2-1-3-5-10/h1-8H
InChIKeyKSYGMGNKARZMJE-UHFFFAOYSA-N
MW287.26 g/mol
LogP2.93
Rot. Bonds2

About 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine

2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine (PubChem CID 2446951) has the molecular formula C12H8F3NO2S and a molecular weight of 287.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine
PubChem CID2446951
Molecular FormulaC12H8F3NO2S
Molecular Weight287.26 g/mol
Exact Mass287.02
IUPAC Name2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H8F3NO2S/c13-12(14,15)9-6-7-11(16-8-9)19(17,18)10-4-2-1-3-5-10/h1-8H
InChIKeyKSYGMGNKARZMJE-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-(benzenesulfonyl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine (CID 2446951) is 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine is O=S(=O)(c1ccccc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine?
The InChIKey is KSYGMGNKARZMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2S/c13-12(14,15)9-6-7-11(16-8-9)19(17,18)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine?
2-(benzenesulfonyl)-5-(trifluoromethyl)pyridine 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-(benzenesulfonyl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2446951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).