N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide

C23H26N6O4S — CID 43958089

About N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide

N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide (PubChem CID 43958089) has the molecular formula C23H26N6O4S and a molecular weight of 482.57 g/mol. Its IUPAC name is N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
• PubChem CID: 43958089
• Molecular Formula: C23H26N6O4S
• Molecular Weight: 482.57 g/mol
• Exact Mass: 482.17
• IUPAC Name: N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide
• SMILES: COc1ccc(CCNc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)cc1OC
• InChI: InChI=1S/C23H26N6O4S/c1-32-19-9-8-17(16-20(19)33-2)12-14-24-21-10-11-22-26-27-23(29(22)28-21)13-15-25-34(30,31)18-6-4-3-5-7-18/h3-11,16,25H,12-15H2,1-2H3,(H,24,28)
• InChIKey: MUWBEGJCRIGWKU-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 119.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.57
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide (CID 43958089) is N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide.

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

The canonical SMILES for N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide is COc1ccc(CCNc2ccc3nnc(CCNS(=O)(=O)c4ccccc4)n3n2)cc1OC.

What is the InChIKey of N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide?

The InChIKey is MUWBEGJCRIGWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O4S/c1-32-19-9-8-17(16-20(19)33-2)12-14-24-21-10-11-22-26-27-23(29(22)28-21)13-15-25-34(30,31)18-6-4-3-5-7-18/h3-11,16,25H,12-15H2,1-2H3,(H,24,28).

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

N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide has a molecular weight of 482.57 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 43958089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).