N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide

C12H9ClN4O2S — CID 86611749

IUPACN-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)nn2ccnc12)c1ccccc1
InChIInChI=1S/C12H9ClN4O2S/c13-11-8-10(12-14-6-7-17(12)15-11)16-20(18,19)9-4-2-1-3-5-9/h1-8,16H
InChIKeyHUTPNBKMFJRRCW-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.18
Rot. Bonds3

About N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide

N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide (PubChem CID 86611749) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide
PubChem CID86611749
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC NameN-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)nn2ccnc12)c1ccccc1
InChIInChI=1S/C12H9ClN4O2S/c13-11-8-10(12-14-6-7-17(12)15-11)16-20(18,19)9-4-2-1-3-5-9/h1-8,16H
InChIKeyHUTPNBKMFJRRCW-UHFFFAOYSA-N
XLogP2.18
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide?
The IUPAC name of N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide (CID 86611749) is N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide?
The canonical SMILES for N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)nn2ccnc12)c1ccccc1.
What is the InChIKey of N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide?
The InChIKey is HUTPNBKMFJRRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c13-11-8-10(12-14-6-7-17(12)15-11)16-20(18,19)9-4-2-1-3-5-9/h1-8,16H.
What are the key properties of N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide?
N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide has a molecular weight of 308.75 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroimidazo[1,2-b]pyridazin-8-yl)benzenesulfonamide is sourced from PubChem (CID 86611749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).