4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide

C19H15FN4O3S — CID 16886225

IUPAC4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1
InChIInChI=1S/C19H15FN4O3S/c1-27-19-10-9-18-21-17(12-24(18)22-19)13-3-2-4-15(11-13)23-28(25,26)16-7-5-14(20)6-8-16/h2-12,23H,1H3
InChIKeyAEBYFEHANYVDIC-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.34
Rot. Bonds5

About 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide

4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide (PubChem CID 16886225) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
PubChem CID16886225
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Name4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1
InChIInChI=1S/C19H15FN4O3S/c1-27-19-10-9-18-21-17(12-24(18)22-19)13-3-2-4-15(11-13)23-28(25,26)16-7-5-14(20)6-8-16/h2-12,23H,1H3
InChIKeyAEBYFEHANYVDIC-UHFFFAOYSA-N
XLogP3.34
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide (CID 16886225) is 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide is COc1ccc2nc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4)c3)cn2n1.
What is the InChIKey of 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is AEBYFEHANYVDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c1-27-19-10-9-18-21-17(12-24(18)22-19)13-3-2-4-15(11-13)23-28(25,26)16-7-5-14(20)6-8-16/h2-12,23H,1H3.
What are the key properties of 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 398.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16886225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).