N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

C17H10Cl2FN5O2S — CID 46913620

IUPACN-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccc(Cl)nn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H10Cl2FN5O2S/c18-15-5-6-16-21-9-14(25(16)23-15)10-7-13(17(19)22-8-10)24-28(26,27)12-3-1-11(20)2-4-12/h1-9,24H
InChIKeySKKQEXMZERSRCK-UHFFFAOYSA-N
MW438.27 g/mol
LogP4.04
Rot. Bonds4

About N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 46913620) has the molecular formula C17H10Cl2FN5O2S and a molecular weight of 438.27 g/mol. Its IUPAC name is N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID46913620
Molecular FormulaC17H10Cl2FN5O2S
Molecular Weight438.27 g/mol
Exact Mass436.99
IUPAC NameN-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2cnc3ccc(Cl)nn23)cnc1Cl)c1ccc(F)cc1
InChIInChI=1S/C17H10Cl2FN5O2S/c18-15-5-6-16-21-9-14(25(16)23-15)10-7-13(17(19)22-8-10)24-28(26,27)12-3-1-11(20)2-4-12/h1-9,24H
InChIKeySKKQEXMZERSRCK-UHFFFAOYSA-N
XLogP4.04
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide 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 N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 46913620) is N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(-c2cnc3ccc(Cl)nn23)cnc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is SKKQEXMZERSRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2FN5O2S/c18-15-5-6-16-21-9-14(25(16)23-15)10-7-13(17(19)22-8-10)24-28(26,27)12-3-1-11(20)2-4-12/h1-9,24H.
What are the key properties of N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 438.27 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 46913620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).