N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide

C15H12FN5O3S — CID 12040823

IUPACN-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-n2nc3ccccn3c2=O)c(F)cc1C#N
InChIInChI=1S/C15H12FN5O3S/c1-2-25(23,24)19-12-8-13(11(16)7-10(12)9-17)21-15(22)20-6-4-3-5-14(20)18-21/h3-8,19H,2H2,1H3
InChIKeySWDYFYQSYRMVQD-UHFFFAOYSA-N
MW361.36 g/mol
LogP1.26
Rot. Bonds4

About N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide

N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide (PubChem CID 12040823) has the molecular formula C15H12FN5O3S and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide
PubChem CID12040823
Molecular FormulaC15H12FN5O3S
Molecular Weight361.36 g/mol
Exact Mass361.06
IUPAC NameN-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-n2nc3ccccn3c2=O)c(F)cc1C#N
InChIInChI=1S/C15H12FN5O3S/c1-2-25(23,24)19-12-8-13(11(16)7-10(12)9-17)21-15(22)20-6-4-3-5-14(20)18-21/h3-8,19H,2H2,1H3
InChIKeySWDYFYQSYRMVQD-UHFFFAOYSA-N
XLogP1.26
TPSA109.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide 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-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide (CID 12040823) is N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-n2nc3ccccn3c2=O)c(F)cc1C#N.
What is the InChIKey of N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide?
The InChIKey is SWDYFYQSYRMVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5O3S/c1-2-25(23,24)19-12-8-13(11(16)7-10(12)9-17)21-15(22)20-6-4-3-5-14(20)18-21/h3-8,19H,2H2,1H3.
What are the key properties of N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide?
N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide has a molecular weight of 361.36 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-4-fluoro-5-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 12040823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).