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

C22H14Cl2N6O2S — CID 16829397

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

2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (PubChem CID 16829397) has the molecular formula C22H14Cl2N6O2S and a molecular weight of 497.37 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
• PubChem CID: 16829397
• Molecular Formula: C22H14Cl2N6O2S
• Molecular Weight: 497.37 g/mol
• Exact Mass: 496.03
• IUPAC Name: 2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
• SMILES: O=S(=O)(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C22H14Cl2N6O2S/c23-16-5-8-18(24)20(12-16)33(31,32)29-17-6-3-14(4-7-17)19-9-10-21-26-27-22(30(21)28-19)15-2-1-11-25-13-15/h1-13,29H
• InChIKey: NVBVYOHOSGZDSW-UHFFFAOYSA-N
• XLogP: 4.96
• 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	497.37
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide (CID 16829397) is 2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide.

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

The canonical SMILES for 2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(-c2ccc3nnc(-c4cccnc4)n3n2)cc1)c1cc(Cl)ccc1Cl.

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

The InChIKey is NVBVYOHOSGZDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl2N6O2S/c23-16-5-8-18(24)20(12-16)33(31,32)29-17-6-3-14(4-7-17)19-9-10-21-26-27-22(30(21)28-19)15-2-1-11-25-13-15/h1-13,29H.

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

2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide has a molecular weight of 497.37 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dichloro-N-[4-(3-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16829397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).