3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

C23H18N6O2S — CID 16873629

About 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 16873629) has the molecular formula C23H18N6O2S and a molecular weight of 442.50 g/mol. Its IUPAC name is 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
• PubChem CID: 16873629
• Molecular Formula: C23H18N6O2S
• Molecular Weight: 442.50 g/mol
• Exact Mass: 442.12
• IUPAC Name: 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
• SMILES: Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)c1
• InChI: InChI=1S/C23H18N6O2S/c1-16-5-4-6-19(15-16)32(30,31)28-18-10-8-17(9-11-18)20-12-13-22-25-26-23(29(22)27-20)21-7-2-3-14-24-21/h2-15,28H,1H3
• InChIKey: PXGDTVYCNCQPFC-UHFFFAOYSA-N
• XLogP: 3.96
• TPSA: 102.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.50
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?

The IUPAC name of 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 16873629) is 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

What is the SMILES notation for 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?

The canonical SMILES for 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(-c3ccc4nnc(-c5ccccn5)n4n3)cc2)c1.

What is the InChIKey of 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?

The InChIKey is PXGDTVYCNCQPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O2S/c1-16-5-4-6-19(15-16)32(30,31)28-18-10-8-17(9-11-18)20-12-13-22-25-26-23(29(22)27-20)21-7-2-3-14-24-21/h2-15,28H,1H3.

What are the key properties of 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?

3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 442.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16873629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).