4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine

C20H15FN4O3S — CID 10158473

IUPAC4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)n2nnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C20H15FN4O3S/c1-28-17-6-8-18(9-7-17)29(26,27)25-20(15-10-12-22-13-11-15)19(23-24-25)14-2-4-16(21)5-3-14/h2-13H,1H3
InChIKeyKTDUIOWAEFOYLQ-UHFFFAOYSA-N
MW410.43 g/mol
LogP3.39
Rot. Bonds5

About 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine (PubChem CID 10158473) has the molecular formula C20H15FN4O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine
PubChem CID10158473
Molecular FormulaC20H15FN4O3S
Molecular Weight410.43 g/mol
Exact Mass410.08
IUPAC Name4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine
SMILESCOc1ccc(S(=O)(=O)n2nnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C20H15FN4O3S/c1-28-17-6-8-18(9-7-17)29(26,27)25-20(15-10-12-22-13-11-15)19(23-24-25)14-2-4-16(21)5-3-14/h2-13H,1H3
InChIKeyKTDUIOWAEFOYLQ-UHFFFAOYSA-N
XLogP3.39
TPSA86.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-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 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine (CID 10158473) is 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine is COc1ccc(S(=O)(=O)n2nnc(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine?
The InChIKey is KTDUIOWAEFOYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O3S/c1-28-17-6-8-18(9-7-17)29(26,27)25-20(15-10-12-22-13-11-15)19(23-24-25)14-2-4-16(21)5-3-14/h2-13H,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine has a molecular weight of 410.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-3-(4-methoxyphenyl)sulfonyltriazol-4-yl]pyridine is sourced from PubChem (CID 10158473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).