N-Acetylsulfamethazine
Basic information
- CAS
35255-37-9- Standard SMILES
CC(=O)N(c1nc(C)cc(C)n1)S(=O)(=O)c1ccc(N)cc1- InChIKey
VRYCOLRKKCBJJI-UHFFFAOYSA-N- Molecular formula
- C14H16N4O3S
- Average molar mass
- 320.37 g/mol
- Monoisotopic mass
- 320.09431156
Names & identifiers
- Preferred name
- N-Acetylsulfamethazine
- IUPAC
- N-(4-aminophenyl)sulfonyl-N-(4,6-dimethylpyrimidin-2-yl)acetamide
- English name
- N-acetylsulfamethazine
- Molecular formula
- C14H16N4O3S
- Molecular weight
- 320.37
Names & synonyms
N-Acetylsulfamethazine35255-37-9N-AcetylsulfadimidineDTXSID00188751RefChem:162820DTXCID60111242N-((4-Aminophenyl)sulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamideAcetylsulfadimidineN-((4-Aminophenyl)sulfonyl)-N-(4,6-dimethyl-2-pyrimidinyl)acetamideSCHEMBL31599132NS00078035N-acetyl-n-(p-aminobenzene-sulfonyl)-2-amino-4,6-dimethylpyrimidine
Show more names
AcetylsulfamethazineN4-AcetylsulphamethazineN4-AcethylsulphamethazineN-(4,6-dimethyl-pyrimidin-2-yl)-N-sulfanilyl-acetamide4-(Acetylamino)-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamideAcetamide, N-[(4-aminophenyl)sulfonyl]-N-(4,6-dimethyl-2-pyrimidinyl)-
Acetamide, N-((4-aminophenyl)sulfonyl)-N-(4,6-dimethyl-2-pyrimidinyl)-N-(4-Aminobenzene-1-sulfonyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
Database identifiers
- CAS
35255-37-9- PubChem CID
- 108015
- DTXSID
DTXSID00188751- Nikkaji
- J3.042.362C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 487
Physicochemical properties
- Melting point
- 249 C · >249C (dec.)
- Boiling point
- 550.301 · 550.301±52.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.381 · 1.381±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, Sonicated)
- form
- Solid
- pka
- 0.141 · 0.141±0.10(predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesThe main metabolite of Sulfamethazine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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