4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

C19H16ClN5O2S — CID 44530409

IUPAC4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc3ncc(-c4ccc(Cl)cc4)n3n2)cc1
InChIInChI=1S/C19H16ClN5O2S/c20-15-5-3-14(4-6-15)17-12-23-19-10-9-18(24-25(17)19)22-11-13-1-7-16(8-2-13)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
InChIKeyDXTJKBIWXRPQGT-UHFFFAOYSA-N
MW413.89 g/mol
LogP3.31
Rot. Bonds5

About 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (PubChem CID 44530409) has the molecular formula C19H16ClN5O2S and a molecular weight of 413.89 g/mol. Its IUPAC name is 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
PubChem CID44530409
Molecular FormulaC19H16ClN5O2S
Molecular Weight413.89 g/mol
Exact Mass413.07
IUPAC Name4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc3ncc(-c4ccc(Cl)cc4)n3n2)cc1
InChIInChI=1S/C19H16ClN5O2S/c20-15-5-3-14(4-6-15)17-12-23-19-10-9-18(24-25(17)19)22-11-13-1-7-16(8-2-13)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
InChIKeyDXTJKBIWXRPQGT-UHFFFAOYSA-N
XLogP3.31
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.89
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

Sgk1-IN-1
CID 71506845
Sgk1-IN-2
CID 71537261
N-(2-((6-chloro-3-(3-(N,N-dimethylsulfamoyl)phenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl)amino)ethyl)acetamide
CID 91758319
N-(6-(6-chloro-5-(4-fluorophenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide
CID 44124863
N-[2-chloro-5-(3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461667
N-[2-chloro-5-(3-phenyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 141461669
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
N-cyclopropyl-3-[3-(4-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-6-yl]benzenesulfonamide
CID 90670269
N,N-dimethyl-4-[6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
CID 118720611
4-[4-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 127044444
4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
CID 1157247
4-[6-(3-Fluoro-benzylamino)-imidazo[1,2-b]pyridazin-3-yl]-benzenesulfonamide
CID 24937716

Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (CID 44530409) is 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2ccc3ncc(-c4ccc(Cl)cc4)n3n2)cc1.
What is the InChIKey of 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The InChIKey is DXTJKBIWXRPQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2S/c20-15-5-3-14(4-6-15)17-12-23-19-10-9-18(24-25(17)19)22-11-13-1-7-16(8-2-13)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27).
What are the key properties of 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide has a molecular weight of 413.89 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 44530409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).