3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide

C21H19FN4O4S — CID 16825002

IUPAC3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(OC)c(F)c4)c3)cn2n1
InChIInChI=1S/C21H19FN4O4S/c1-13-4-5-14(18-12-26-20(23-18)8-9-21(24-26)30-3)10-17(13)25-31(27,28)15-6-7-19(29-2)16(22)11-15/h4-12,25H,1-3H3
InChIKeyCHMIMHFYSIASQQ-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.66
Rot. Bonds6

About 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide

3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide (PubChem CID 16825002) has the molecular formula C21H19FN4O4S and a molecular weight of 442.47 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide
PubChem CID16825002
Molecular FormulaC21H19FN4O4S
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC Name3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(OC)c(F)c4)c3)cn2n1
InChIInChI=1S/C21H19FN4O4S/c1-13-4-5-14(18-12-26-20(23-18)8-9-21(24-26)30-3)10-17(13)25-31(27,28)15-6-7-19(29-2)16(22)11-15/h4-12,25H,1-3H3
InChIKeyCHMIMHFYSIASQQ-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

Analyze 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide (CID 16825002) is 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide is COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4ccc(OC)c(F)c4)c3)cn2n1.
What is the InChIKey of 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
The InChIKey is CHMIMHFYSIASQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4S/c1-13-4-5-14(18-12-26-20(23-18)8-9-21(24-26)30-3)10-17(13)25-31(27,28)15-6-7-19(29-2)16(22)11-15/h4-12,25H,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
3-fluoro-4-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 3-fluoro-4-methoxy-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 16825002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).