4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

C20H19N5O3S — CID 44530410

IUPAC4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cc1
InChIInChI=1S/C20H19N5O3S/c1-28-16-6-4-15(5-7-16)18-13-23-20-11-10-19(24-25(18)20)22-12-14-2-8-17(9-3-14)29(21,26)27/h2-11,13H,12H2,1H3,(H,22,24)(H2,21,26,27)
InChIKeyLUBDQVOUAWPGLO-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.66
Rot. Bonds6

About 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide

4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (PubChem CID 44530410) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
PubChem CID44530410
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESCOc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cc1
InChIInChI=1S/C20H19N5O3S/c1-28-16-6-4-15(5-7-16)18-13-23-20-11-10-19(24-25(18)20)22-12-14-2-8-17(9-3-14)29(21,26)27/h2-11,13H,12H2,1H3,(H,22,24)(H2,21,26,27)
InChIKeyLUBDQVOUAWPGLO-UHFFFAOYSA-N
XLogP2.66
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (CID 44530410) is 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is COc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cc1.
What is the InChIKey of 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The InChIKey is LUBDQVOUAWPGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-28-16-6-4-15(5-7-16)18-13-23-20-11-10-19(24-25(18)20)22-12-14-2-8-17(9-3-14)29(21,26)27/h2-11,13H,12H2,1H3,(H,22,24)(H2,21,26,27).
What are the key properties of 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 44530410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).