4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide

C17H18N6O3S — CID 134310592

IUPAC4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1
InChIInChI=1S/C17H18N6O3S/c18-27(25,26)14-3-1-13(2-4-14)17(24)22-11-9-21(10-12-22)16-6-5-15-19-7-8-23(15)20-16/h1-8H,9-12H2,(H2,18,25,26)
InChIKeyRADYCOFMSYBVGN-UHFFFAOYSA-N
MW386.44 g/mol
LogP0.34
Rot. Bonds3

About 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide

4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide (PubChem CID 134310592) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide
PubChem CID134310592
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC Name4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1
InChIInChI=1S/C17H18N6O3S/c18-27(25,26)14-3-1-13(2-4-14)17(24)22-11-9-21(10-12-22)16-6-5-15-19-7-8-23(15)20-16/h1-8H,9-12H2,(H2,18,25,26)
InChIKeyRADYCOFMSYBVGN-UHFFFAOYSA-N
XLogP0.34
TPSA113.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide?
The IUPAC name of 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide (CID 134310592) is 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc4nccn4n3)CC2)cc1.
What is the InChIKey of 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide?
The InChIKey is RADYCOFMSYBVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c18-27(25,26)14-3-1-13(2-4-14)17(24)22-11-9-21(10-12-22)16-6-5-15-19-7-8-23(15)20-16/h1-8H,9-12H2,(H2,18,25,26).
What are the key properties of 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide?
4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide has a molecular weight of 386.44 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 134310592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).