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

CAS: 51608-60-7 Cat. No.: N342138 Molecular Weight: 259.32 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488192969
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192969
• Canonical Smiles: 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
• Isomeric SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=CC=C2
• WGK Germany: 3
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive;Light sensitive
• Melt Point(°C): 108-115° C
• Molecular Weight: 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