3-amino-4-(4-ethoxyphenoxy)-N,N-diethylbenzene-1-sulfonamide - ≥95% , CAS No.727694-63-5

CAS: 727694-63-5 Cat. No.: A995704 Peso molecular: 364.500 Número EC: 180-991-5

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC2=CC=C(C=C2)OCC)N
• IUPAC Name: 3-amino-4-(4-ethoxyphenoxy)-N,N-diethylbenzenesulfonamide
• InChIKey: WNFGETLQYJCOFG-UHFFFAOYSA-N
• INCHI: 1S/C18H24N2O4S/c1-4-20(5-2)25(21,22)16-11-12-18(17(19)13-16)24-15-9-7-14(8-10-15)23-6-3/h7-13H,4-6,19H2,1-3H3
• Peso molecular: 364.500

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Aminobenzenesulfonamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Aniline and substituted anilines Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Aminobenzenesulfonamide - Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• 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: 364.500 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 364.146 Da
• Monoisotopic Mass: 364.146 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 482.000
• 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