N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide

C15H16FN5O3S — CID 15240395

IUPACN-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C#N
InChIInChI=1S/C15H16FN5O3S/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/h7-8,19H,2-6H2,1H3
InChIKeySCLHVLGKWLZILB-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.14
Rot. Bonds4

About N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide

N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide (PubChem CID 15240395) has the molecular formula C15H16FN5O3S and a molecular weight of 365.39 g/mol. Its IUPAC name is N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide
PubChem CID15240395
Molecular FormulaC15H16FN5O3S
Molecular Weight365.39 g/mol
Exact Mass365.10
IUPAC NameN-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C#N
InChIInChI=1S/C15H16FN5O3S/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/h7-8,19H,2-6H2,1H3
InChIKeySCLHVLGKWLZILB-UHFFFAOYSA-N
XLogP1.14
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide?
The IUPAC name of N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide (CID 15240395) is N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[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-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cc(-n2nc3n(c2=O)CCCC3)c(F)cc1C#N.
What is the InChIKey of N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide?
The InChIKey is SCLHVLGKWLZILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5O3S/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/h7-8,19H,2-6H2,1H3.
What are the key properties of N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide?
N-[2-cyano-4-fluoro-5-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide has a molecular weight of 365.39 g/mol, XLogP of 1.14, 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-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)phenyl]ethanesulfonamide is sourced from PubChem (CID 15240395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).