3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

C24H20N6O2S — CID 16873782

About 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide

3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 16873782) has the molecular formula C24H20N6O2S and a molecular weight of 456.53 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
• PubChem CID: 16873782
• Molecular Formula: C24H20N6O2S
• Molecular Weight: 456.53 g/mol
• Exact Mass: 456.14
• IUPAC Name: 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
• SMILES: Cc1cc(C)cc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)c1
• InChI: InChI=1S/C24H20N6O2S/c1-16-11-17(2)13-21(12-16)33(31,32)29-20-7-3-5-18(14-20)22-8-9-23-26-27-24(30(23)28-22)19-6-4-10-25-15-19/h3-15,29H,1-2H3
• InChIKey: VEOHZZKUPCXKNP-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 102.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.53
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?

The IUPAC name of 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 16873782) is 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

What is the SMILES notation for 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?

The canonical SMILES for 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)Nc2cccc(-c3ccc4nnc(-c5cccnc5)n4n3)c2)c1.

What is the InChIKey of 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?

The InChIKey is VEOHZZKUPCXKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O2S/c1-16-11-17(2)13-21(12-16)33(31,32)29-20-7-3-5-18(14-20)22-8-9-23-26-27-24(30(23)28-22)19-6-4-10-25-15-19/h3-15,29H,1-2H3.

What are the key properties of 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide?

3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 456.53 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-N-[3-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16873782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).