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Sulfaethoxypyridazine

C12H14N4O3S — CID 13755

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
InChIInChI=1S/C12H14N4O3S/c1-2-19-12-8-7-11(14-15-12)16-20(17,18)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,16)
InChIKeyFFJIWWBSBCOKLS-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.26
Rot. Bonds5

About Sulfaethoxypyridazine

Sulfaethoxypyridazine (PubChem CID 13755) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameSulfaethoxypyridazine
PubChem CID13755
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Name4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
InChIInChI=1S/C12H14N4O3S/c1-2-19-12-8-7-11(14-15-12)16-20(17,18)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,16)
InChIKeyFFJIWWBSBCOKLS-UHFFFAOYSA-N
XLogP1.26
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Sulfamethoxypyridazine
CID 5330
N-((4-Aminophenyl)sulfonyl)-N-(6-methoxy-3-pyridazinyl)acetamide
CID 19122
4-[(6-Methoxypyridazin-3-yl)amino]benzenesulfonamide
CID 57011620
sulfamethoxypyridazine sodium salt
CID 12790147
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-4-methylbenzenesulfonamide
CID 2834195
4-Amino-N-(6-(trideuteriomethoxy)pyridazin-3-yl)benzenesulfonamide
CID 71312424
N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2834196
N-(6-methoxy-3-pyridazinyl)-4-[(phenylsulfonyl)amino]benzenesulfonamide
CID 6401802

Frequently Asked Questions

What is the IUPAC name of Sulfaethoxypyridazine?
The IUPAC name of Sulfaethoxypyridazine (CID 13755) is 4-amino-N-(6-ethoxypyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for Sulfaethoxypyridazine?
The canonical SMILES for Sulfaethoxypyridazine is CCOc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1.
What is the InChIKey of Sulfaethoxypyridazine?
The InChIKey is FFJIWWBSBCOKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-2-19-12-8-7-11(14-15-12)16-20(17,18)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,16).
What are the key properties of Sulfaethoxypyridazine?
Sulfaethoxypyridazine has a molecular weight of 294.34 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Sulfaethoxypyridazine is sourced from PubChem (CID 13755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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