N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

C23H23FN4O2S — CID 53153410

About N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 53153410) has the molecular formula C23H23FN4O2S and a molecular weight of 438.53 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
• PubChem CID: 53153410
• Molecular Formula: C23H23FN4O2S
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.15
• IUPAC Name: N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
• SMILES: CCc1nnc2c(S(=O)(=O)N(Cc3ccc(F)cc3)c3cc(C)cc(C)c3)cccn12
• InChI: InChI=1S/C23H23FN4O2S/c1-4-22-25-26-23-21(6-5-11-27(22)23)31(29,30)28(15-18-7-9-19(24)10-8-18)20-13-16(2)12-17(3)14-20/h5-14H,4,15H2,1-3H3
• InChIKey: YRVVZQFTIDVIQT-UHFFFAOYSA-N
• XLogP: 4.44
• TPSA: 67.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?

The IUPAC name of N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 53153410) is N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

What is the SMILES notation for N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?

The canonical SMILES for N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is CCc1nnc2c(S(=O)(=O)N(Cc3ccc(F)cc3)c3cc(C)cc(C)c3)cccn12.

What is the InChIKey of N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?

The InChIKey is YRVVZQFTIDVIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2S/c1-4-22-25-26-23-21(6-5-11-27(22)23)31(29,30)28(15-18-7-9-19(24)10-8-18)20-13-16(2)12-17(3)14-20/h5-14H,4,15H2,1-3H3.

What are the key properties of N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?

N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 438.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-3-ethyl-N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 53153410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).