5-(Aminomethyl)-2-fluorobenzene-1-sulfonamide - ≥95% , CAS No.1124321-59-0

CAS: 1124321-59-0 Cat. No.: A1239301 Peso molecular: 204.22

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1CN)S(=O)(=O)N)F
• IUPAC Name: 5-(aminomethyl)-2-fluorobenzenesulfonamide
• InChIKey: SCTVMOLUCKGPGX-UHFFFAOYSA-N
• INCHI: 1S/C7H9FN2O2S/c8-6-2-1-5(4-9)3-7(6)13(10,11)12/h1-3H,4,9H2,(H2,10,11,12)
• Peso molecular: 204.22

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 Phenylmethylamines Benzylamines Fluorobenzenes Aralkylamines Organosulfonamides Aryl fluorides Aminosulfonyl compounds Organofluorides Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Organosulfonic acid amide - Aryl fluoride - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Primary aliphatic amine - Amine - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organic oxide - Primary amine - 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: 204.220 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 204.037 Da
• Monoisotopic Mass: 204.037 Da
• Topological Polar Surface Area: 94.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 262.000
• 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