N-Methylbenzenesulfonamide - ≥98%(GC) , CAS No.5183-78-8

CAS: 5183-78-8 Cat. No.: N158939 Peso molecular: 171.21 Número EC: 225-965-7

GRADE & PURITY ≥98%(GC)

Synonyms

A871150 | N-methylphenylsulfonamide | benzenesulfonic acid methylamide | Benzenesulfonyl-N-methylamide | SCHEMBL18580 | AS-58661 | N-Methylbenzenesulphonamide | N-methyl benzenesulphonamide | N-Methylbenzenesulfonamide; Dellatol MMA; N-Benzenesulfonyl-N-m

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

A871150 | N-methylphenylsulfonamide | benzenesulfonic acid methylamide | Benzenesulfonyl-N-methylamide | SCHEMBL18580 | AS-58661 | N-Methylbenzenesulphonamide | N-methyl benzenesulphonamide | N-Methylbenzenesulfonamide; Dellatol MMA; N-Benzenesulfonyl-N-m

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488185631
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185631
• Sonrisas canónicas: CNS(=O)(=O)C1=CC=CC=C1
• IUPAC Name: N-methylbenzenesulfonamide
• InChIKey: SVDVKEBISAOWJT-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-6,8H,1H3
• Isómeros SMILES: CNS(=O)(=O)C1=CC=CC=C1
• Peso molecular: 171.21
• Reaxy-Rn: 2089917
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2089917&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: Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Aminosulfonyl compound - 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

• Peso molecular: 171.220 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 171.035 Da
• Monoisotopic Mass: 171.035 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 199.000
• 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

Referencias

1. Chengdong Fang, Yuhang Zhang, Yixuan Li, Pengfei Sun, Liping Cui, Jiajia Chen.  (2024)  Ion-dipole interactions assist small molecular additives to regulate Li+ coordination of poly(ethylene) oxide-based polymer electrolyte.  ELECTROCHIMICA ACTA,      [PMID:] [10.1016/j.electacta.2024.143949]