N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide

C20H14N6O2S2 — CID 16873567

About N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide

N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide (PubChem CID 16873567) has the molecular formula C20H14N6O2S2 and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

• Compound Name: N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
• PubChem CID: 16873567
• Molecular Formula: C20H14N6O2S2
• Molecular Weight: 434.51 g/mol
• Exact Mass: 434.06
• IUPAC Name: N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide
• SMILES: O=S(=O)(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1cccnc1
• InChI: InChI=1S/C20H14N6O2S2/c27-30(28,16-6-2-10-21-13-16)25-15-5-1-4-14(12-15)17-8-9-19-22-23-20(26(19)24-17)18-7-3-11-29-18/h1-13,25H
• InChIKey: IAJSEFDTQUYTFX-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 102.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.51
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide (CID 16873567) is N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide.

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

The canonical SMILES for N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1cccnc1.

What is the InChIKey of N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide?

The InChIKey is IAJSEFDTQUYTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O2S2/c27-30(28,16-6-2-10-21-13-16)25-15-5-1-4-14(12-15)17-8-9-19-22-23-20(26(19)24-17)18-7-3-11-29-18/h1-13,25H.

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

N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide has a molecular weight of 434.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-thiophen-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 16873567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).