4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide

C20H15N5O3S — CID 60532335

About 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide

4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide (PubChem CID 60532335) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide
• PubChem CID: 60532335
• Molecular Formula: C20H15N5O3S
• Molecular Weight: 405.44 g/mol
• Exact Mass: 405.09
• IUPAC Name: 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide
• SMILES: N#Cc1ccc(S(=O)(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1
• InChI: InChI=1S/C20H15N5O3S/c21-13-15-7-9-18(10-8-15)29(27,28)23-17-5-3-4-16(12-17)14-25-20(26)24-11-2-1-6-19(24)22-25/h1-12,23H,14H2
• InChIKey: AZVOUIFCGUYFLS-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 109.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.44
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide?

The IUPAC name of 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide (CID 60532335) is 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide.

What is the SMILES notation for 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide?

The canonical SMILES for 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide is N#Cc1ccc(S(=O)(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1.

What is the InChIKey of 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide?

The InChIKey is AZVOUIFCGUYFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c21-13-15-7-9-18(10-8-15)29(27,28)23-17-5-3-4-16(12-17)14-25-20(26)24-11-2-1-6-19(24)22-25/h1-12,23H,14H2.

What are the key properties of 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide?

4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide has a molecular weight of 405.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 60532335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).