3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide

C23H24N4O4S — CID 24947525

IUPAC3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4cccc(S(=O)(=O)N(C)C)c4)n3n2)cc1OC
InChIInChI=1S/C23H24N4O4S/c1-15-23(17-7-6-8-18(13-17)32(28,29)26(2)3)27-22(24-15)12-10-19(25-27)16-9-11-20(30-4)21(14-16)31-5/h6-14H,1-5H3
InChIKeyUIJNMSKZTPFISQ-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.64
Rot. Bonds6

About 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide

3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide (PubChem CID 24947525) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
PubChem CID24947525
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4cccc(S(=O)(=O)N(C)C)c4)n3n2)cc1OC
InChIInChI=1S/C23H24N4O4S/c1-15-23(17-7-6-8-18(13-17)32(28,29)26(2)3)27-22(24-15)12-10-19(25-27)16-9-11-20(30-4)21(14-16)31-5/h6-14H,1-5H3
InChIKeyUIJNMSKZTPFISQ-UHFFFAOYSA-N
XLogP3.64
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide (CID 24947525) is 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide is COc1ccc(-c2ccc3nc(C)c(-c4cccc(S(=O)(=O)N(C)C)c4)n3n2)cc1OC.
What is the InChIKey of 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is UIJNMSKZTPFISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-15-23(17-7-6-8-18(13-17)32(28,29)26(2)3)27-22(24-15)12-10-19(25-27)16-9-11-20(30-4)21(14-16)31-5/h6-14H,1-5H3.
What are the key properties of 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide?
3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-3-yl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 24947525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).