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

C21H19FN4O4S — CID 16825001

IUPAC4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1
InChIInChI=1S/C21H19FN4O4S/c1-13-10-15(5-6-16(13)22)31(27,28)25-17-11-14(4-7-19(17)29-2)18-12-26-20(23-18)8-9-21(24-26)30-3/h4-12,25H,1-3H3
InChIKeyXSZSXYMVKICVLN-UHFFFAOYSA-N
MW442.47 g/mol
LogP3.66
Rot. Bonds6

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

4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide (PubChem CID 16825001) has the molecular formula C21H19FN4O4S and a molecular weight of 442.47 g/mol. Its IUPAC name is 4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide
PubChem CID16825001
Molecular FormulaC21H19FN4O4S
Molecular Weight442.47 g/mol
Exact Mass442.11
IUPAC Name4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide
SMILESCOc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1
InChIInChI=1S/C21H19FN4O4S/c1-13-10-15(5-6-16(13)22)31(27,28)25-17-11-14(4-7-19(17)29-2)18-12-26-20(23-18)8-9-21(24-26)30-3/h4-12,25H,1-3H3
InChIKeyXSZSXYMVKICVLN-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 4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide (CID 16825001) is 4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide is COc1ccc2nc(-c3ccc(OC)c(NS(=O)(=O)c4ccc(F)c(C)c4)c3)cn2n1.
What is the InChIKey of 4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is XSZSXYMVKICVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O4S/c1-13-10-15(5-6-16(13)22)31(27,28)25-17-11-14(4-7-19(17)29-2)18-12-26-20(23-18)8-9-21(24-26)30-3/h4-12,25H,1-3H3.
What are the key properties of 4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide?
4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide 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 4-fluoro-N-[2-methoxy-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 16825001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).