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

C20H16F2N4O3S — CID 16825005

IUPAC2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(F)ccc4F)c3)cn2n1
InChIInChI=1S/C20H16F2N4O3S/c1-12-3-4-13(17-11-26-19(23-17)7-8-20(24-26)29-2)9-16(12)25-30(27,28)18-10-14(21)5-6-15(18)22/h3-11,25H,1-2H3
InChIKeyYYZTWZPHPIKKMW-UHFFFAOYSA-N
MW430.44 g/mol
LogP3.79
Rot. Bonds5

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

2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide (PubChem CID 16825005) has the molecular formula C20H16F2N4O3S and a molecular weight of 430.44 g/mol. Its IUPAC name is 2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide
PubChem CID16825005
Molecular FormulaC20H16F2N4O3S
Molecular Weight430.44 g/mol
Exact Mass430.09
IUPAC Name2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(F)ccc4F)c3)cn2n1
InChIInChI=1S/C20H16F2N4O3S/c1-12-3-4-13(17-11-26-19(23-17)7-8-20(24-26)29-2)9-16(12)25-30(27,28)18-10-14(21)5-6-15(18)22/h3-11,25H,1-2H3
InChIKeyYYZTWZPHPIKKMW-UHFFFAOYSA-N
XLogP3.79
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide (CID 16825005) is 2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide is COc1ccc2nc(-c3ccc(C)c(NS(=O)(=O)c4cc(F)ccc4F)c3)cn2n1.
What is the InChIKey of 2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
The InChIKey is YYZTWZPHPIKKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O3S/c1-12-3-4-13(17-11-26-19(23-17)7-8-20(24-26)29-2)9-16(12)25-30(27,28)18-10-14(21)5-6-15(18)22/h3-11,25H,1-2H3.
What are the key properties of 2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide?
2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide has a molecular weight of 430.44 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)-2-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 16825005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).