2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide

C59H59F3N16O8S4 — CID 162258722

About 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide

2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide (PubChem CID 162258722) has the molecular formula C59H59F3N16O8S4 and a molecular weight of 1305.49 g/mol. Its IUPAC name is 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide
• PubChem CID: 162258722
• Molecular Formula: C59H59F3N16O8S4
• Molecular Weight: 1305.49 g/mol
• Exact Mass: 1304.35
• IUPAC Name: 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide
• SMILES: Cc1ccc(S(=O)(=O)NCc2nc3cccc(C)n3n2)cc1C.Cc1ccc(S(=O)(=O)NCc2nc3ccccn3n2)c(C)c1.Cc1ccc2nc(CNS(=O)(=O)c3cc(F)ccc3F)nn2c1.Cc1cccc2nc(CNS(=O)(=O)c3ccccc3F)nn12
• InChI: InChI=1S/C16H18N4O2S.C15H16N4O2S.C14H12F2N4O2S.C14H13FN4O2S/c1-11-7-8-14(9-12(11)2)23(21,22)17-10-15-18-16-6-4-5-13(3)20(16)19-15;1-11-6-7-13(12(2)9-11)22(20,21)16-10-14-17-15-5-3-4-8-19(15)18-14;1-9-2-5-14-18-13(19-20(14)8-9)7-17-23(21,22)12-6-10(15)3-4-11(12)16;1-10-5-4-8-14-17-13(18-19(10)14)9-16-22(20,21)12-7-3-2-6-11(12)15/h4-9,17H,10H2,1-3H3;3-9,16H,10H2,1-2H3;2-6,8,17H,7H2,1H3;2-8,16H,9H2,1H3
• InChIKey: ZYYBWRNWOFSCKO-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 305.44 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.49
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide?

The IUPAC name of 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide (CID 162258722) is 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide.

What is the SMILES notation for 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide?

The canonical SMILES for 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2nc3cccc(C)n3n2)cc1C.Cc1ccc(S(=O)(=O)NCc2nc3ccccn3n2)c(C)c1.Cc1ccc2nc(CNS(=O)(=O)c3cc(F)ccc3F)nn2c1.Cc1cccc2nc(CNS(=O)(=O)c3ccccc3F)nn12.

What is the InChIKey of 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide?

The InChIKey is ZYYBWRNWOFSCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S.C15H16N4O2S.C14H12F2N4O2S.C14H13FN4O2S/c1-11-7-8-14(9-12(11)2)23(21,22)17-10-15-18-16-6-4-5-13(3)20(16)19-15;1-11-6-7-13(12(2)9-11)22(20,21)16-10-14-17-15-5-3-4-8-19(15)18-14;1-9-2-5-14-18-13(19-20(14)8-9)7-17-23(21,22)12-6-10(15)3-4-11(12)16;1-10-5-4-8-14-17-13(18-19(10)14)9-16-22(20,21)12-7-3-2-6-11(12)15/h4-9,17H,10H2,1-3H3;3-9,16H,10H2,1-2H3;2-6,8,17H,7H2,1H3;2-8,16H,9H2,1H3.

What are the key properties of 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide?

2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide has a molecular weight of 1305.49 g/mol, XLogP of 7.41, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-difluoro-N-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;3,4-dimethyl-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide;2,4-dimethyl-N-([1,2,4]triazolo[1,5-a]pyridin-2-ylmethyl)benzenesulfonamide;2-fluoro-N-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 162258722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).