5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide

C21H19FN4O4S — CID 16825003

IUPAC5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(F)ccc4OC)c3)cn2n1
InChIInChI=1S/C21H19FN4O4S/c1-13-4-5-14(17-12-26-20(23-17)8-9-21(24-26)30-3)10-16(13)25-31(27,28)19-11-15(22)6-7-18(19)29-2/h4-12,25H,1-3H3
InChIKeyAEYSVOXJCWLGQE-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.66
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide (PubChem CID 16825003) has the molecular formula C21H19FN4O4S and a molecular weight of 442.47 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide
PubChem CID16825003
Molecular FormulaC21H19FN4O4S
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC Name5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(F)ccc4OC)c3)cn2n1
InChIInChI=1S/C21H19FN4O4S/c1-13-4-5-14(17-12-26-20(23-17)8-9-21(24-26)30-3)10-16(13)25-31(27,28)19-11-15(22)6-7-18(19)29-2/h4-12,25H,1-3H3
InChIKeyAEYSVOXJCWLGQE-UHFFFAOYSA-N
XLogP3.66
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide (CID 16825003) is 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide is COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(F)ccc4OC)c3)cn2n1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
The InChIKey is AEYSVOXJCWLGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4S/c1-13-4-5-14(17-12-26-20(23-17)8-9-21(24-26)30-3)10-16(13)25-31(27,28)19-11-15(22)6-7-18(19)29-2/h4-12,25H,1-3H3.
What are the key properties of 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide has a molecular weight of 442.47 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 16825003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).