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

C20H16N6O2S — CID 44522098

IUPAC4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cc1
InChIInChI=1S/C20H16N6O2S/c21-11-14-1-5-16(6-2-14)18-13-24-20-10-9-19(25-26(18)20)23-12-15-3-7-17(8-4-15)29(22,27)28/h1-10,13H,12H2,(H,23,25)(H2,22,27,28)
InChIKeyKHWUPSRNHAZAJU-UHFFFAOYSA-N
MW404.46 g/mol
LogP2.53
Rot. Bonds5

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

4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (PubChem CID 44522098) has the molecular formula C20H16N6O2S and a molecular weight of 404.46 g/mol. Its IUPAC name is 4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
PubChem CID44522098
Molecular FormulaC20H16N6O2S
Molecular Weight404.46 g/mol
Exact Mass404.11
IUPAC Name4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide
SMILESN#Cc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cc1
InChIInChI=1S/C20H16N6O2S/c21-11-14-1-5-16(6-2-14)18-13-24-20-10-9-19(25-26(18)20)23-12-15-3-7-17(8-4-15)29(22,27)28/h1-10,13H,12H2,(H,23,25)(H2,22,27,28)
InChIKeyKHWUPSRNHAZAJU-UHFFFAOYSA-N
XLogP2.53
TPSA126.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide (CID 44522098) is 4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is N#Cc1ccc(-c2cnc3ccc(NCc4ccc(S(N)(=O)=O)cc4)nn23)cc1.
What is the InChIKey of 4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
The InChIKey is KHWUPSRNHAZAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2S/c21-11-14-1-5-16(6-2-14)18-13-24-20-10-9-19(25-26(18)20)23-12-15-3-7-17(8-4-15)29(22,27)28/h1-10,13H,12H2,(H,23,25)(H2,22,27,28).
What are the key properties of 4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide?
4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide has a molecular weight of 404.46 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(4-cyanophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]benzenesulfonamide is sourced from PubChem (CID 44522098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).