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

C22H18N6O2S — CID 24964451

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

N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide (PubChem CID 24964451) has the molecular formula C22H18N6O2S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide
• PubChem CID: 24964451
• Molecular Formula: C22H18N6O2S
• Molecular Weight: 430.49 g/mol
• Exact Mass: 430.12
• IUPAC Name: N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide
• SMILES: CNS(=O)(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1
• InChI: InChI=1S/C22H18N6O2S/c1-23-31(29,30)18-7-5-16(6-8-18)20-10-11-21-25-26-22(28(21)27-20)14-15-4-9-19-17(13-15)3-2-12-24-19/h2-13,23H,14H2,1H3
• InChIKey: GDNXXUMOJAWJPR-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 102.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.49
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide (CID 24964451) is N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide.

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

The canonical SMILES for N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide is CNS(=O)(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.

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

The InChIKey is GDNXXUMOJAWJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O2S/c1-23-31(29,30)18-7-5-16(6-8-18)20-10-11-21-25-26-22(28(21)27-20)14-15-4-9-19-17(13-15)3-2-12-24-19/h2-13,23H,14H2,1H3.

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

N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide has a molecular weight of 430.49 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 24964451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).