N-Bencil 4-boronobencenosulfonamida - ≥95% , CAS No.548769-96-6

CAS: 548769-96-6 Cat. No.: N185151 Fórmula: C₁₃H₁₄BNO₄S Peso molecular: 291.1

GRADE & PURITY ≥95%

Synonyms

(4-(N-Benzylsulfamoyl)phenyl)boronic acid | SCHEMBL5651347 | (4-(N-Benzylsulfamoyl)phenyl)boronicacid | AM87058 | [4-(Benzylsulfamoyl)phenyl]boronic acid | DTXSID60621972 | A848043 | BS-28556 | N-benzyl-4-boronobenzenesulfonamide | 4-(N-Benzylsulphonamido

Storage

Temperatura ambiente

Shipped In

Normal

Specifications

Sinónimos

(4-(N-Benzylsulfamoyl)phenyl)boronic acid | SCHEMBL5651347 | (4-(N-Benzylsulfamoyl)phenyl)boronicacid | AM87058 | [4-(Benzylsulfamoyl)phenyl]boronic acid | DTXSID60621972 | A848043 | BS-28556 | N-benzyl-4-boronobenzenesulfonamide | 4-(N-Benzylsulphonamido

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Temperatura ambiente

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

Sonrisas canónicas

B(C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)(O)O

IUPAC Name

[4-(benzylsulfamoyl)phenyl]boronic acid

InChIKey

LRHAPENXSWTNOS-UHFFFAOYSA-N

INCHI

1S/C13H14BNO4S/c16-14(17)12-6-8-13(9-7-12)20(18,19)15-10-11-4-2-1-3-5-11/h1-9,15-17H,10H2

Isómeros SMILES

B(C1=CC=C(C=C1)S(=O)(=O)NCC2=CC=CC=C2)(O)O

Peso molecular

291.1

Reaxy-Rn

11485113

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11485113&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 Boronic acids Organic metalloid salts Organonitrogen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Boronic acid derivative - Boronic acid - Organic metalloid salt - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic metalloid moeity - Organic oxide - Organic oxygen 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: 291.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 291.074 Da
• Monoisotopic Mass: 291.074 Da
• Topological Polar Surface Area: 95.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 382.000
• 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

XLogP3

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 548769-96-6, the molecular formula is C13H14BNO4S, and the molecular weight is 291.1 g/mol. InChIKey LRHAPENXSWTNOS-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.