2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol

C12H8F3NO3S — CID 1479267

IUPAC2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol
SMILESO=S(=O)(c1ccccc1)c1ncc(C(F)(F)F)cc1O
InChIInChI=1S/C12H8F3NO3S/c13-12(14,15)8-6-10(17)11(16-7-8)20(18,19)9-4-2-1-3-5-9/h1-7,17H
InChIKeyWVRLXMOLXLRHOE-UHFFFAOYSA-N
MW303.26 g/mol
LogP2.64
Rot. Bonds2

About 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol

2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol (PubChem CID 1479267) has the molecular formula C12H8F3NO3S and a molecular weight of 303.26 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol
PubChem CID1479267
Molecular FormulaC12H8F3NO3S
Molecular Weight303.26 g/mol
Exact Mass303.02
IUPAC Name2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol
SMILESO=S(=O)(c1ccccc1)c1ncc(C(F)(F)F)cc1O
InChIInChI=1S/C12H8F3NO3S/c13-12(14,15)8-6-10(17)11(16-7-8)20(18,19)9-4-2-1-3-5-9/h1-7,17H
InChIKeyWVRLXMOLXLRHOE-UHFFFAOYSA-N
XLogP2.64
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.26
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol 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-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol?
The IUPAC name of 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol (CID 1479267) is 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol.
What is the SMILES notation for 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol?
The canonical SMILES for 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol is O=S(=O)(c1ccccc1)c1ncc(C(F)(F)F)cc1O.
What is the InChIKey of 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol?
The InChIKey is WVRLXMOLXLRHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3S/c13-12(14,15)8-6-10(17)11(16-7-8)20(18,19)9-4-2-1-3-5-9/h1-7,17H.
What are the key properties of 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol?
2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol has a molecular weight of 303.26 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-(trifluoromethyl)pyridin-3-ol is sourced from PubChem (CID 1479267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).