N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

C12H9FN4O2S — CID 53153322

IUPACN-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cccn2cnnc12
InChIInChI=1S/C12H9FN4O2S/c13-9-3-5-10(6-4-9)16-20(18,19)11-2-1-7-17-8-14-15-12(11)17/h1-8,16H
InChIKeyLXVNIFXWTVUIBI-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.67
Rot. Bonds3

About N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 53153322) has the molecular formula C12H9FN4O2S and a molecular weight of 292.30 g/mol. Its IUPAC name is N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
PubChem CID53153322
Molecular FormulaC12H9FN4O2S
Molecular Weight292.30 g/mol
Exact Mass292.04
IUPAC NameN-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1cccn2cnnc12
InChIInChI=1S/C12H9FN4O2S/c13-9-3-5-10(6-4-9)16-20(18,19)11-2-1-7-17-8-14-15-12(11)17/h1-8,16H
InChIKeyLXVNIFXWTVUIBI-UHFFFAOYSA-N
XLogP1.67
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 53153322) is N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1cccn2cnnc12.
What is the InChIKey of N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
The InChIKey is LXVNIFXWTVUIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2S/c13-9-3-5-10(6-4-9)16-20(18,19)11-2-1-7-17-8-14-15-12(11)17/h1-8,16H.
What are the key properties of N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?
N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 292.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 53153322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).