5-Bromo-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide - ≥95% , CAS No.871269-14-6

CAS: 871269-14-6 Cat. No.: B187323 Peso molecular: 310.2

GRADE & PURITY ≥95%

Synonyms

SB82661 | WJB26914 | Z425750018 | DTXSID10640673 | C9H12BrNO4S | Benzenesulfonamide,5-bromo-N-(2-hydroxyethyl)-2-methoxy- | BS-24164 | 5-Bromo-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide | MFCD08056375 | ANOUOAFJUPSZKO-UHFFFAOYSA-N | A862810 | AKOS0022

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SB82661 | WJB26914 | Z425750018 | DTXSID10640673 | C9H12BrNO4S | Benzenesulfonamide, 5-bromo-N-(2-hydroxyethyl)-2-methoxy- | BS-24164 | 5-Bromo-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide | MFCD08056375 | ANOUOAFJUPSZKO-UHFFFAOYSA-N | A862810 | AKOS0022

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCO
• IUPAC Name: 5-bromo-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
• InChIKey: ANOUOAFJUPSZKO-UHFFFAOYSA-N
• INCHI: 1S/C9H12BrNO4S/c1-15-8-3-2-7(10)6-9(8)16(13,14)11-4-5-12/h2-3,6,11-12H,4-5H2,1H3
• Isómeros SMILES: COC1=C(C=C(C=C1)Br)S(=O)(=O)NCCO
• Peso molecular: 310.2
• Reaxy-Rn: 47528561
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47528561&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 Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Organosulfonamides Aryl bromides Aminosulfonyl compounds Alkanolamines Primary alcohols Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Alkanolamine - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary alcohol - 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: 310.170 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 308.967 Da
• Monoisotopic Mass: 308.967 Da
• Topological Polar Surface Area: 84.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 303.000
• 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