4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide

C19H16FN5O2S — CID 24937716

IUPAC4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1
InChIInChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
InChIKeyIGJZBYFJOGZJQO-UHFFFAOYSA-N
MW397.44 g/mol
LogP2.79
Rot. Bonds5

About 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide

4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide (PubChem CID 24937716) has the molecular formula C19H16FN5O2S and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
PubChem CID24937716
Molecular FormulaC19H16FN5O2S
Molecular Weight397.44 g/mol
Exact Mass397.10
IUPAC Name4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1
InChIInChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27)
InChIKeyIGJZBYFJOGZJQO-UHFFFAOYSA-N
XLogP2.79
TPSA102.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide with MolForge

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Related Compounds

Sgk1-IN-1
CID 71506845
Cep-33779
CID 57336812
Gsk8612
CID 137553174
Imidazo[1,2-b]pyridazine deriv. 2b
CID 6539038
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
N-(6-(6-chloro-5-(4-fluorophenylsulfonamido)pyridin-3-yl)imidazo[1,2-b]pyridazin-2-yl)acetamide
CID 44124863
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-benzenesulfonamide
CID 52936958
N-(5-(3-(2H-Tetrazol-5-yl)imidazo[1,2-a]pyridin-6-yl)pyridin-3-yl)-2,4-difluorobenzenesulfonamide
CID 52937066
N-tert-butyl-3-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 57394178
N-tert-butyl-3-[2-[3-fluoro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide
CID 57401173
[8-(4-Methanesulfonyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-[3-(1-methyl-piperidin-4-yl)-phenyl]-amine
CID 57502388
5-(2-Amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide
CID 42623223

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide (CID 24937716) is 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cnc3ccc(NCc4cccc(F)c4)nn23)cc1.
What is the InChIKey of 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is IGJZBYFJOGZJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2S/c20-15-3-1-2-13(10-15)11-22-18-8-9-19-23-12-17(25(19)24-18)14-4-6-16(7-5-14)28(21,26)27/h1-10,12H,11H2,(H,22,24)(H2,21,26,27).
What are the key properties of 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide?
4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 397.44 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(3-fluorophenyl)methylamino]imidazo[1,2-b]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 24937716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).