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

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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).