Basic information
- CAS
127-75-3- Standard SMILES
COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nn1- InChIKey
IPJUXBSYTYFATD-UHFFFAOYSA-N- Molecular formula
- C13H14N4O4S
- Average molar mass
- 322.34 g/mol
- Monoisotopic mass
- 322.07357611
Names & identifiers
- Preferred name
- Acetylsulfamethoxypyridazine
- IUPAC
- N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamide
- English name
- 4'-(6-methoxypyridazin-3-ylsulphamoyl)acetanilide
- Molecular formula
- C13H14N4O4S
- Molecular weight
- 322.33966
Names & synonyms
127-75-3N-AcetylsulfamethoxypyridazineacetylsulfamethoxypyridazineD47T6W0FSQDTXSID60155363RefChem:915007DTXCID5077854204-863-6N-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]acetamiden-{4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl}acetamide4/'-(6-Methoxypyridazin-3-ylsulphamoyl)acetanilide4'-(6-Methoxypyridazin-3-ylsulphamoyl)acetanilide
Show more names
Sotuletinib Impurity10ACETYLSULPHAMETHOXYPYRIDAZINEN-4-AcetylsulphamethoxypyridazineN-[4-[[(6-Methoxy-3-pyridazinyl)amino]sulfonyl]phenyl]acetamide
CBDivE_012630EINECS 204-863-6ACETYLMIDICELUNII-D47T6W0FSQOprea1_184245MLS001077223IPJUXBSYTYFATD-UHFFFAOYSA-NHMS2776P14
Database identifiers
- CAS
127-75-3- PubChem CID
- 67182
- DTXSID
DTXSID60155363- UNII
- D47T6W0FSQ
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 471
Experimental & physicochemical properties
Solubility22.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.39 · 1.3900 (rough estimate)
- refractive index
- 1.627 · 1.6270 (estimate)
- Water Solubility
- 0.22 g/L · 0.22g/L(37 ºC)
- FDA UNII
- 47 T6W0FSQ · D47T6W0FSQ
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers2 total
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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