2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide

C19H14F2N4O3S — CID 16824987

IUPAC2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3cccc(NS(=O)(=O)c4cc(F)ccc4F)c3)cn2n1
InChIInChI=1S/C19H14F2N4O3S/c1-28-19-8-7-18-22-16(11-25(18)23-19)12-3-2-4-14(9-12)24-29(26,27)17-10-13(20)5-6-15(17)21/h2-11,24H,1H3
InChIKeyBCCWHJWICRKEIJ-UHFFFAOYSA-N
MW416.41 g/mol
LogP3.48
Rot. Bonds5

About 2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide

2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide (PubChem CID 16824987) has the molecular formula C19H14F2N4O3S and a molecular weight of 416.41 g/mol. Its IUPAC name is 2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
PubChem CID16824987
Molecular FormulaC19H14F2N4O3S
Molecular Weight416.41 g/mol
Exact Mass416.08
IUPAC Name2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide
SMILESCOc1ccc2nc(-c3cccc(NS(=O)(=O)c4cc(F)ccc4F)c3)cn2n1
InChIInChI=1S/C19H14F2N4O3S/c1-28-19-8-7-18-22-16(11-25(18)23-19)12-3-2-4-14(9-12)24-29(26,27)17-10-13(20)5-6-15(17)21/h2-11,24H,1H3
InChIKeyBCCWHJWICRKEIJ-UHFFFAOYSA-N
XLogP3.48
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-difluoro-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 9240048
N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-phenoxyacetamide
CID 16885820
N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 16824854
4-fluoro-N-[4-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16824926
5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
CID 16831419
2-ethoxy-N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzamide
CID 16824969
2,5-difluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 30595993
N-[2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]cyclopentanecarboxamide
CID 16824962
2-fluoro-4-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 7524078
N-[3-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2-fluoro-4-methoxybenzenesulfonamide
CID 30288486
2,5-difluoro-N-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]benzenesulfonamide
CID 121024250
2-methoxy-N-[3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]benzenesulfonamide
CID 121037099

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide (CID 16824987) is 2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide is COc1ccc2nc(-c3cccc(NS(=O)(=O)c4cc(F)ccc4F)c3)cn2n1.
What is the InChIKey of 2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is BCCWHJWICRKEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3S/c1-28-19-8-7-18-22-16(11-25(18)23-19)12-3-2-4-14(9-12)24-29(26,27)17-10-13(20)5-6-15(17)21/h2-11,24H,1H3.
What are the key properties of 2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide?
2,5-difluoro-N-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 416.41 g/mol, XLogP of 3.48, 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-[3-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16824987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).