4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

C21H19N5O4S — CID 122304722

IUPAC4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)cc1
InChIInChI=1S/C21H19N5O4S/c1-2-29-17-8-10-19(11-9-17)31(27,28)25-16-4-6-18(7-5-16)30-21-13-12-20(23-24-21)26-15-3-14-22-26/h3-15,25H,2H2,1H3
InChIKeyKTMLEVKKIGGFOO-UHFFFAOYSA-N
MW437.48 g/mol
LogP3.65
Rot. Bonds8

About 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122304722) has the molecular formula C21H19N5O4S and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
PubChem CID122304722
Molecular FormulaC21H19N5O4S
Molecular Weight437.48 g/mol
Exact Mass437.12
IUPAC Name4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)cc1
InChIInChI=1S/C21H19N5O4S/c1-2-29-17-8-10-19(11-9-17)31(27,28)25-16-4-6-18(7-5-16)30-21-13-12-20(23-24-21)26-15-3-14-22-26/h3-15,25H,2H2,1H3
InChIKeyKTMLEVKKIGGFOO-UHFFFAOYSA-N
XLogP3.65
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-acetyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304897
5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304985
3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304744
N-[4-[6-(4,5-dimethylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-pyrazol-1-ylbenzenesulfonamide
CID 122307221
4-butoxy-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122305101
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide
CID 122304757
2-methoxy-5-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304738
4-methoxy-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122307746
1-(3-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]methanesulfonamide
CID 122304904
N-[[5-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122304945
4-chloro-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309687
4-methyl-N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]benzenesulfonamide
CID 122306608

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (CID 122304722) is 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(-n4cccn4)nn3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is KTMLEVKKIGGFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4S/c1-2-29-17-8-10-19(11-9-17)31(27,28)25-16-4-6-18(7-5-16)30-21-13-12-20(23-24-21)26-15-3-14-22-26/h3-15,25H,2H2,1H3.
What are the key properties of 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 437.48 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122304722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).