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

C20H17FN4O4S — CID 16886292

IUPAC2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccccc4F)c3)cn2n1
InChIInChI=1S/C20H17FN4O4S/c1-28-17-8-7-13(16-12-25-19(22-16)9-10-20(23-25)29-2)11-15(17)24-30(26,27)18-6-4-3-5-14(18)21/h3-12,24H,1-2H3
InChIKeySEDGYOROLIQKQA-UHFFFAOYSA-N
MW428.45 g/mol
LogP3.35
Rot. Bonds6

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

2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide (PubChem CID 16886292) has the molecular formula C20H17FN4O4S and a molecular weight of 428.45 g/mol. Its IUPAC name is 2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
PubChem CID16886292
Molecular FormulaC20H17FN4O4S
Molecular Weight428.45 g/mol
Exact Mass428.10
IUPAC Name2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccccc4F)c3)cn2n1
InChIInChI=1S/C20H17FN4O4S/c1-28-17-8-7-13(16-12-25-19(22-16)9-10-20(23-25)29-2)11-15(17)24-30(26,27)18-6-4-3-5-14(18)21/h3-12,24H,1-2H3
InChIKeySEDGYOROLIQKQA-UHFFFAOYSA-N
XLogP3.35
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide (CID 16886292) is 2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide is COc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccccc4F)c3)cn2n1.
What is the InChIKey of 2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is SEDGYOROLIQKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4S/c1-28-17-8-7-13(16-12-25-19(22-16)9-10-20(23-25)29-2)11-15(17)24-30(26,27)18-6-4-3-5-14(18)21/h3-12,24H,1-2H3.
What are the key properties of 2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 428.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16886292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).