Sulfalozine - analytical standard , CAS No.102-65-8

CAS: 102-65-8 Cat. No.: S114288 Peso molecular: 284.72 Número EC: 203-044-0 PubChem CID: 66890

GRADE & PURITY Analytical standard

Synonyms

sulfaclozine sodium;sulfachlopryrazine sodium | AKOS015896008 | Sulfaclozine sodium monohydrate | Sulphachlorpyrazine sodium | Sulfaclozina [INN-Spanish] | N1-(6-Chlor-2-pyrazinyl)sulfanilamid | NCGC00183279-01 | Sulfaclozinum [INN-Latin] | Sulfaclozine |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

sulfaclozine sodium;sulfachlopryrazine sodium | AKOS015896008 | Sulfaclozine sodium monohydrate | Sulphachlorpyrazine sodium | Sulfaclozina [INN-Spanish] | N1-(6-Chlor-2-pyrazinyl)sulfanilamid | NCGC00183279-01 | Sulfaclozinum [INN-Latin] | Sulfaclozine |

Especificaciones y pureza

analytical standard

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

Analytical standard

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl
• IUPAC Name: 4-amino-N-(6-chloropyrazin-2-yl)benzenesulfonamide
• InChIKey: QKLPUVXBJHRFQZ-UHFFFAOYSA-N
• INCHI: 1S/C10H9ClN4O2S/c11-9-5-13-6-10(14-9)15-18(16,17)8-3-1-7(12)2-4-8/h1-6H,12H2,(H,14,15)
• Isómeros SMILES: C1=CC(=CC=C1N)S(=O)(=O)NC2=CN=CC(=N2)Cl
• PubChem CID: 66890
• Peso molecular: 284.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Pyrazines Organosulfonamides Imidolactams Aryl chlorides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Aryl chloride - Aryl halide - Pyrazine - Organosulfonic acid amide - Imidolactam - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de fusión (°C): >239°C
• Peso molecular: 284.720 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 284.013 Da
• Monoisotopic Mass: 284.013 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 365.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1