5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide

C19H19F6N7O2S — CID 129044290

About 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide

5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide (PubChem CID 129044290) has the molecular formula C19H19F6N7O2S and a molecular weight of 523.46 g/mol. Its IUPAC name is 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide.

Molecular Properties

• Compound Name: 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide
• PubChem CID: 129044290
• Molecular Formula: C19H19F6N7O2S
• Molecular Weight: 523.46 g/mol
• Exact Mass: 523.12
• IUPAC Name: 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide
• SMILES: Cc1cc(Nc2n[nH]c(N)n2)cc(C(F)(F)F)c1-c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)nc1
• InChI: InChI=1S/C19H19F6N7O2S/c1-9-6-11(28-16-29-15(26)30-31-16)7-12(18(20,21)22)14(9)10-4-5-13(27-8-10)35(33,34)32-17(2,3)19(23,24)25/h4-8,32H,1-3H3,(H4,26,28,29,30,31)
• InChIKey: VALRNIUUSATQLU-UHFFFAOYSA-N
• XLogP: 4.14
• TPSA: 138.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.46
LogP ≤ 5	4.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide?

The IUPAC name of 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide (CID 129044290) is 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide.

What is the SMILES notation for 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide?

The canonical SMILES for 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide is Cc1cc(Nc2n[nH]c(N)n2)cc(C(F)(F)F)c1-c1ccc(S(=O)(=O)NC(C)(C)C(F)(F)F)nc1.

What is the InChIKey of 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide?

The InChIKey is VALRNIUUSATQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F6N7O2S/c1-9-6-11(28-16-29-15(26)30-31-16)7-12(18(20,21)22)14(9)10-4-5-13(27-8-10)35(33,34)32-17(2,3)19(23,24)25/h4-8,32H,1-3H3,(H4,26,28,29,30,31).

What are the key properties of 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide?

5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide has a molecular weight of 523.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-2-methyl-6-(trifluoromethyl)phenyl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridine-2-sulfonamide is sourced from PubChem (CID 129044290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).