5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine

C15H11F3N4O2S — CID 22226668

IUPAC5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)nc1
InChIInChI=1S/C15H11F3N4O2S/c1-25(23,24)11-7-8-12(19-9-11)22-13(10-5-3-2-4-6-10)20-14(21-22)15(16,17)18/h2-9H,1H3
InChIKeyWWZLDEDEMXIPOG-UHFFFAOYSA-N
MW368.34 g/mol
LogP2.75
Rot. Bonds3

About 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine

5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine (PubChem CID 22226668) has the molecular formula C15H11F3N4O2S and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
PubChem CID22226668
Molecular FormulaC15H11F3N4O2S
Molecular Weight368.34 g/mol
Exact Mass368.06
IUPAC Name5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
SMILESCS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)nc1
InChIInChI=1S/C15H11F3N4O2S/c1-25(23,24)11-7-8-12(19-9-11)22-13(10-5-3-2-4-6-10)20-14(21-22)15(16,17)18/h2-9H,1H3
InChIKeyWWZLDEDEMXIPOG-UHFFFAOYSA-N
XLogP2.75
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]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 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine (CID 22226668) is 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine is CS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2-c2ccccc2)nc1.
What is the InChIKey of 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine?
The InChIKey is WWZLDEDEMXIPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2S/c1-25(23,24)11-7-8-12(19-9-11)22-13(10-5-3-2-4-6-10)20-14(21-22)15(16,17)18/h2-9H,1H3.
What are the key properties of 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine?
5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine has a molecular weight of 368.34 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 22226668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).