2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide

C32H27Cl5F2N6O4S — CID 157438982

About 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide

2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide (PubChem CID 157438982) has the molecular formula C32H27Cl5F2N6O4S and a molecular weight of 806.93 g/mol. Its IUPAC name is 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide
• PubChem CID: 157438982
• Molecular Formula: C32H27Cl5F2N6O4S
• Molecular Weight: 806.93 g/mol
• Exact Mass: 804.02
• IUPAC Name: 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide
• SMILES: Nc1cc(-c2c(Cl)n3n(c2=O)CCCC3)c(F)cc1Cl.O=c1c(-c2cc(NS(=O)(=O)c3ccccc3Cl)c(Cl)cc2F)c(Cl)n2n1CCCC2
• InChI: InChI=1S/C19H15Cl3FN3O3S.C13H12Cl2FN3O/c20-12-5-1-2-6-16(12)30(28,29)24-15-9-11(14(23)10-13(15)21)17-18(22)25-7-3-4-8-26(25)19(17)27;14-8-6-9(16)7(5-10(8)17)11-12(15)18-3-1-2-4-19(18)13(11)20/h1-2,5-6,9-10,24H,3-4,7-8H2;5-6H,1-4,17H2
• InChIKey: BRLCDYWLWNRVNE-UHFFFAOYSA-N
• XLogP: 8.15
• TPSA: 126.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.93
LogP ≤ 5	8.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide?

The IUPAC name of 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide (CID 157438982) is 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide.

What is the SMILES notation for 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide?

The canonical SMILES for 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide is Nc1cc(-c2c(Cl)n3n(c2=O)CCCC3)c(F)cc1Cl.O=c1c(-c2cc(NS(=O)(=O)c3ccccc3Cl)c(Cl)cc2F)c(Cl)n2n1CCCC2.

What is the InChIKey of 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide?

The InChIKey is BRLCDYWLWNRVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3FN3O3S.C13H12Cl2FN3O/c20-12-5-1-2-6-16(12)30(28,29)24-15-9-11(14(23)10-13(15)21)17-18(22)25-7-3-4-8-26(25)19(17)27;14-8-6-9(16)7(5-10(8)17)11-12(15)18-3-1-2-4-19(18)13(11)20/h1-2,5-6,9-10,24H,3-4,7-8H2;5-6H,1-4,17H2.

What are the key properties of 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide?

2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide has a molecular weight of 806.93 g/mol, XLogP of 8.15, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-amino-4-chloro-2-fluorophenyl)-1-chloro-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-3-one;2-chloro-N-[2-chloro-5-(1-chloro-3-oxo-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazin-2-yl)-4-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 157438982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).