4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide

C20H18N4O3S — CID 11395292

IUPAC4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide
SMILESCCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H18N4O3S/c1-2-27-16-9-5-15(6-10-16)20-19(18-4-3-13-22-24(18)23-20)14-7-11-17(12-8-14)28(21,25)26/h3-13H,2H2,1H3,(H2,21,25,26)
InChIKeyJWSYDZNIYSFRNJ-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.11
Rot. Bonds5

About 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide

4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide (PubChem CID 11395292) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide
PubChem CID11395292
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC Name4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide
SMILESCCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H18N4O3S/c1-2-27-16-9-5-15(6-10-16)20-19(18-4-3-13-22-24(18)23-20)14-7-11-17(12-8-14)28(21,25)26/h3-13H,2H2,1H3,(H2,21,25,26)
InChIKeyJWSYDZNIYSFRNJ-UHFFFAOYSA-N
XLogP3.11
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide (CID 11395292) is 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide is CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide?
The InChIKey is JWSYDZNIYSFRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-2-27-16-9-5-15(6-10-16)20-19(18-4-3-13-22-24(18)23-20)14-7-11-17(12-8-14)28(21,25)26/h3-13H,2H2,1H3,(H2,21,25,26).
What are the key properties of 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide?
4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethoxyphenyl)pyrazolo[1,5-b]pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 11395292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).