5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

C21H18BrN5O4S — CID 122304985

IUPAC5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H18BrN5O4S/c1-2-30-18-9-4-15(22)14-19(18)32(28,29)26-16-5-7-17(8-6-16)31-21-11-10-20(24-25-21)27-13-3-12-23-27/h3-14,26H,2H2,1H3
InChIKeyQSDTYSUYDLFRDQ-UHFFFAOYSA-N
MW516.38 g/mol
LogP4.42
Rot. Bonds8

About 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide

5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (PubChem CID 122304985) has the molecular formula C21H18BrN5O4S and a molecular weight of 516.38 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
PubChem CID122304985
Molecular FormulaC21H18BrN5O4S
Molecular Weight516.38 g/mol
Exact Mass515.03
IUPAC Name5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C21H18BrN5O4S/c1-2-30-18-9-4-15(22)14-19(18)32(28,29)26-16-5-7-17(8-6-16)31-21-11-10-20(24-25-21)27-13-3-12-23-27/h3-14,26H,2H2,1H3
InChIKeyQSDTYSUYDLFRDQ-UHFFFAOYSA-N
XLogP4.42
TPSA108.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.38
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304722
2-methoxy-5-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304738
5-bromo-2-ethoxy-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 121072952
5-bromo-2-ethoxy-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122309189
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]quinoline-8-sulfonamide
CID 122304757
2,4-diethoxy-N-[4-(6-imidazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122306490
3-fluoro-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304744
4-acetyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide
CID 122304897
5-bromo-2-ethoxy-N-(4-ethylphenyl)benzenesulfonamide
CID 2236441
N-[[5-[[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122304945
5-bromo-2-ethoxy-N-[2-[(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 121074745
2,5-dimethoxy-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzenesulfonamide
CID 122310077

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide (CID 122304985) is 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
The InChIKey is QSDTYSUYDLFRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrN5O4S/c1-2-30-18-9-4-15(22)14-19(18)32(28,29)26-16-5-7-17(8-6-16)31-21-11-10-20(24-25-21)27-13-3-12-23-27/h3-14,26H,2H2,1H3.
What are the key properties of 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide?
5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide has a molecular weight of 516.38 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzenesulfonamide is sourced from PubChem (CID 122304985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).