5-(Morpholine-4-sulfonyl)-2-phenoxyaniline - ≥95% , CAS No.736948-90-6

CAS: 736948-90-6 Cat. No.: M1333466 Número EC: 100-367-8 PubChem CID: 3809457

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: C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)N
• IUPAC Name: 5-morpholin-4-ylsulfonyl-2-phenoxyaniline
• InChIKey: OPDRFNOUUAEXNH-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2O4S/c17-15-12-14(23(19,20)18-8-10-21-11-9-18)6-7-16(15)22-13-4-2-1-3-5-13/h1-7,12H,8-11,17H2
• Isómeros SMILES: C1COCCN1S(=O)(=O)C2=CC(=C(C=C2)OC3=CC=CC=C3)N
• CAS alternativo: 736948-90-6
• PubChem CID: 3809457

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: Aminobenzenesulfonamides Diarylethers Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Aniline and substituted anilines Primary aromatic amines Organosulfonamides Morpholines Sulfonyls Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Aminobenzenesulfonamide - Diaryl ether - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Morpholine - Oxazinane - Primary aromatic amine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Azacycle - Oxacycle - Ether - Dialkyl ether - Organoheterocyclic compound - Amine - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic 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: 334.400 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 334.099 Da
• Monoisotopic Mass: 334.099 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 467.000
• 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