N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide

C15H11ClFN5O3S — CID 12040824

IUPACN-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1C#N
InChIInChI=1S/C15H11ClFN5O3S/c1-2-26(24,25)20-12-6-13(11(17)5-9(12)7-18)22-15(23)21-8-10(16)3-4-14(21)19-22/h3-6,8,20H,2H2,1H3
InChIKeyAWFWGIQRMVHWOX-UHFFFAOYSA-N
MW395.80 g/mol
LogP1.91
Rot. Bonds4

About N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide

N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide (PubChem CID 12040824) has the molecular formula C15H11ClFN5O3S and a molecular weight of 395.80 g/mol. Its IUPAC name is N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide
PubChem CID12040824
Molecular FormulaC15H11ClFN5O3S
Molecular Weight395.80 g/mol
Exact Mass395.03
IUPAC NameN-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1C#N
InChIInChI=1S/C15H11ClFN5O3S/c1-2-26(24,25)20-12-6-13(11(17)5-9(12)7-18)22-15(23)21-8-10(16)3-4-14(21)19-22/h3-6,8,20H,2H2,1H3
InChIKeyAWFWGIQRMVHWOX-UHFFFAOYSA-N
XLogP1.91
TPSA109.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.80
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide?
The IUPAC name of N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide (CID 12040824) is N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide.
What is the SMILES notation for N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide?
The canonical SMILES for N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-n2nc3ccc(Cl)cn3c2=O)c(F)cc1C#N.
What is the InChIKey of N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide?
The InChIKey is AWFWGIQRMVHWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O3S/c1-2-26(24,25)20-12-6-13(11(17)5-9(12)7-18)22-15(23)21-8-10(16)3-4-14(21)19-22/h3-6,8,20H,2H2,1H3.
What are the key properties of N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide?
N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide has a molecular weight of 395.80 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-2-cyano-4-fluorophenyl]ethanesulfonamide is sourced from PubChem (CID 12040824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).