N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

C14H10FN5O2S — CID 53158171

IUPACN-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESN#CCN(c1cccc(F)c1)S(=O)(=O)c1ccc2nncn2c1
InChIInChI=1S/C14H10FN5O2S/c15-11-2-1-3-12(8-11)20(7-6-16)23(21,22)13-4-5-14-18-17-10-19(14)9-13/h1-5,8-10H,7H2
InChIKeyUBGGXZNVPQYIDC-UHFFFAOYSA-N
MW331.33 g/mol
LogP1.59
Rot. Bonds4

About N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide

N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (PubChem CID 53158171) has the molecular formula C14H10FN5O2S and a molecular weight of 331.33 g/mol. Its IUPAC name is N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
PubChem CID53158171
Molecular FormulaC14H10FN5O2S
Molecular Weight331.33 g/mol
Exact Mass331.05
IUPAC NameN-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
SMILESN#CCN(c1cccc(F)c1)S(=O)(=O)c1ccc2nncn2c1
InChIInChI=1S/C14H10FN5O2S/c15-11-2-1-3-12(8-11)20(7-6-16)23(21,22)13-4-5-14-18-17-10-19(14)9-13/h1-5,8-10H,7H2
InChIKeyUBGGXZNVPQYIDC-UHFFFAOYSA-N
XLogP1.59
TPSA91.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

Analyze N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide 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 N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The IUPAC name of N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide (CID 53158171) is N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide.
What is the SMILES notation for N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The canonical SMILES for N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is N#CCN(c1cccc(F)c1)S(=O)(=O)c1ccc2nncn2c1.
What is the InChIKey of N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
The InChIKey is UBGGXZNVPQYIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O2S/c15-11-2-1-3-12(8-11)20(7-6-16)23(21,22)13-4-5-14-18-17-10-19(14)9-13/h1-5,8-10H,7H2.
What are the key properties of N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide?
N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide has a molecular weight of 331.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide is sourced from PubChem (CID 53158171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).