N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

C21H18F2N4O2S — CID 53153454

About N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide

N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (PubChem CID 53153454) has the molecular formula C21H18F2N4O2S and a molecular weight of 428.46 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

Molecular Properties

• Compound Name: N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
• PubChem CID: 53153454
• Molecular Formula: C21H18F2N4O2S
• Molecular Weight: 428.46 g/mol
• Exact Mass: 428.11
• IUPAC Name: N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide
• SMILES: Cc1ccccc1CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccn2c(C)nnc12
• InChI: InChI=1S/C21H18F2N4O2S/c1-14-6-3-4-7-16(14)13-27(17-9-10-18(22)19(23)12-17)30(28,29)20-8-5-11-26-15(2)24-25-21(20)26/h3-12H,13H2,1-2H3
• InChIKey: IITAHIMZURTTCS-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 67.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.46
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide (CID 53153454) is N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide.

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

The canonical SMILES for N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is Cc1ccccc1CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccn2c(C)nnc12.

What is the InChIKey of N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide?

The InChIKey is IITAHIMZURTTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2S/c1-14-6-3-4-7-16(14)13-27(17-9-10-18(22)19(23)12-17)30(28,29)20-8-5-11-26-15(2)24-25-21(20)26/h3-12H,13H2,1-2H3.

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

N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide has a molecular weight of 428.46 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-difluorophenyl)-3-methyl-N-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-8-sulfonamide is sourced from PubChem (CID 53153454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).