Acetyl sulfamethoxypyrazine
Basic information
- CAS
3590-05-4- Standard SMILES
COc1nccnc1N(C(C)=O)S(=O)(=O)c1ccc(N)cc1- InChIKey
GWVCIJWBGGVDJJ-UHFFFAOYSA-N- Molecular formula
- C13H14N4O4S
- Average molar mass
- 322.34 g/mol
- Monoisotopic mass
- 322.07357611
Names & identifiers
- Preferred name
- Acetyl sulfamethoxypyrazine
- IUPAC
- N-(4-aminophenyl)sulfonyl-N-(3-methoxypyrazin-2-yl)acetamide
- English name
- N-[(p-aminophenyl)sulphonyl]-N-(3-methoxypyrazinyl)acetamide
- Molecular formula
- C13H14N4O4S
- Molecular weight
- 322.33966
Names & synonyms
Acetyl sulfamethoxypyrazine3590-05-48SXL21GVKGUNII-8SXL21GVKGACETYLSULFAMETHOXYPYRAZINEDTXSID50189470EINECS 222-730-0FI-6073ACETYL SULFAMETHOXYPYRAZINE [MI]N-ACETYL-2-SULFONAMIDO-3-METHOXYPYRAZINEACETAMIDE, N-((4-AMINOPHENYL)SULFONYL)-N-(3-METHOXY-2-PYRAZINYL)-RefChem:109071
Show more names
AcetylkelfizinaN-[(4-Aminophenyl)sulfonyl]-N-(3-methoxy-2-pyrazinyl)acetamideAcetamide, N-[(4-aminophenyl)sulfonyl]-N-(3-methoxy-2-pyrazinyl)-
DTXCID80111961222-730-0acetylazideN-(4-aminophenyl)sulfonyl-N-(3-methoxypyrazin-2-yl)acetamideN-((p-Aminophenyl)sulphonyl)-N-(3-methoxypyrazinyl)acetamideN-[(P-AMINOPHENYL)SULPHONYL]-N-(3-METHOXYPYRAZINYL)ACETAMIDEOprea1_112787SCHEMBL49915
Database identifiers
- CAS
3590-05-4- PubChem CID
- 19175
- DTXSID
DTXSID50189470- UNII
- 8SXL21GVKG
- EC Number
- 222-730-0
- Nikkaji
- J216.226A
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 485
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- Melting point
- 199 ° · 199°
- Boiling point
- 156.51 °C · 156.51°C (rough estimate)
- Density
- 1.3856 · 1.3856 (rough estimate)
- refractive index
- 1.4164 · 1.4164 (estimate)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- FDA UNII
- 8 SXL21GVKG · 8SXL21GVKG
Chemistry & industry
Applications
UsesAcetylazide is a synthetic broad-spectrum bacteriostatic antibiotic.
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Compound notes
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