5-Bromo-N,N-diethylpyridine-3-sulfonamide - ≥95% , CAS No.62009-37-4

CAS: 62009-37-4 Cat. No.: B185600 Peso molecular: 293.2

GRADE & PURITY ≥95%

Synonyms

BS-28973 | FT-0721120 | 5-Bromo-N,N-diethylpyridine-3-sulfonamide | 5-bromo-N,N-diethyl-3-Pyridinesulfonamide | DMCLRSISAMTJLN-UHFFFAOYSA-N | MFCD09475859 | C80071 | 3-Pyridinesulfonamide,5-bromo-N,N-diethyl- | SCHEMBL750424 | 5-Bromo-N,N-diethylpyridine-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

BS-28973 | FT-0721120 | 5-Bromo-N, N-diethylpyridine-3-sulfonamide | 5-bromo-N, N-diethyl-3-Pyridinesulfonamide | DMCLRSISAMTJLN-UHFFFAOYSA-N | MFCD09475859 | C80071 | 3-Pyridinesulfonamide, 5-bromo-N, N-diethyl- | SCHEMBL750424 | 5-Bromo-N, N-diethylpyridine-

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)S(=O)(=O)C1=CC(=CN=C1)Br
• IUPAC Name: 5-bromo-N,N-diethylpyridine-3-sulfonamide
• InChIKey: DMCLRSISAMTJLN-UHFFFAOYSA-N
• INCHI: 1S/C9H13BrN2O2S/c1-3-12(4-2)15(13,14)9-5-8(10)6-11-7-9/h5-7H,3-4H2,1-2H3
• Isómeros SMILES: CCN(CC)S(=O)(=O)C1=CC(=CN=C1)Br
• Peso molecular: 293.2
• Reaxy-Rn: 1119176
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1119176&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinesulfonamides
• Alternative Parents: Organosulfonamides Aryl bromides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine-3-sulfonamide - Aryl bromide - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Azacycle - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
• 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: 293.180 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 291.988 Da
• Monoisotopic Mass: 291.988 Da
• Topological Polar Surface Area: 58.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 285.000
• 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