N-(3-Bromophenyl)methanesulfonamide - ≥98% , CAS No.83922-51-4

CAS: 83922-51-4 Cat. No.: N186840 Peso molecular: 250.1 Número EC: 836-873-7

GRADE & PURITY ≥98%

Synonyms

FT-0735727 | DCAVLRMJGJXYMZ-UHFFFAOYSA-N | AKOS000171936 | SY077630 | n-(3-bromophenyl) methanesulfonamide | EN300-69282 | F53217 | 3-(methylsulfonyl)amino-1-bromo-benzene | N-(3-Bromophenyl)methansulfonamide | STL137337 | DTXSID50355390 | SCHEMBL2634842

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

FT-0735727 | DCAVLRMJGJXYMZ-UHFFFAOYSA-N | AKOS000171936 | SY077630 | n-(3-bromophenyl) methanesulfonamide | EN300-69282 | F53217 | 3-(methylsulfonyl)amino-1-bromo-benzene | N-(3-Bromophenyl)methansulfonamide | STL137337 | DTXSID50355390 | SCHEMBL2634842

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CS(=O)(=O)NC1=CC(=CC=C1)Br
• IUPAC Name: N-(3-bromophenyl)methanesulfonamide
• InChIKey: DCAVLRMJGJXYMZ-UHFFFAOYSA-N
• INCHI: 1S/C7H8BrNO2S/c1-12(10,11)9-7-4-2-3-6(8)5-7/h2-5,9H,1H3
• Isómeros SMILES: CS(=O)(=O)NC1=CC(=CC=C1)Br
• Peso molecular: 250.1
• Reaxy-Rn: 6503347
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6503347&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Bromobenzenes Organosulfonamides Organic sulfonamides Aryl bromides Aminosulfonyl compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Sulfanilide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Organosulfonic acid or derivatives - Sulfonyl - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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: 250.120 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 248.946 Da
• Monoisotopic Mass: 248.946 Da
• Topological Polar Surface Area: 54.600 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 234.000
• 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