N-Benzylidene-4-methylbenzensulfonamide - ≥98% , CAS No.51608-60-7

CAS: 51608-60-7 Cat. No.: N342138 Peso molecular: 259.32 Número EC: 627-332-4

GRADE & PURITY ≥98%

Synonyms

N-benzylidene-4-methylbenzenesulfonamide | N-Benzylidene-4-methylbenzensulfonamide | HVCKVBQOKOFBFH-UHFFFAOYSA-N | N-benzylidene-toluene-p-sulphonamide | N-Benzylidene-4-toluenesulfonamide | N-(p-Methylbenzenesulfonyl)benzaldimine | N-Tosylbenzenemethanim

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

N-benzylidene-4-methylbenzenesulfonamide | N-Benzylidene-4-methylbenzensulfonamide | HVCKVBQOKOFBFH-UHFFFAOYSA-N | N-benzylidene-toluene-p-sulphonamide | N-Benzylidene-4-toluenesulfonamide | N-(p-Methylbenzenesulfonyl)benzaldimine | N-Tosylbenzenemethanim

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light, Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488192969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192969
• Sonrisas canónicas: CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=CC=C2
• IUPAC Name: N-benzylidene-4-methylbenzenesulfonamide
• InChIKey: HVCKVBQOKOFBFH-UHFFFAOYSA-N
• INCHI: 1S/C14H13NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-11H,1H3
• Isómeros SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=CC=C2
• WGK Alemania: 3
• Peso molecular: 259.32
• Reaxy-Rn: 2115660
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2115660&ln=

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: Benzenesulfonamides
• Alternative Parents: Tosyl compounds Benzenesulfonyl compounds Sulfonyls Organosulfonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Tosyl compound - Benzenesulfonamide - Benzenesulfonyl group - Toluene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a 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

• Sensibilidad: Moisture sensitive;Light sensitive
• Punto de fusión (°C): 108-115° C
• Peso molecular: 259.329 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 259.067 Da
• Monoisotopic Mass: 259.067 Da
• Topological Polar Surface Area: 54.900 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 369.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1