Azoxydapsone , CAS No.35040-12-1

CAS: 35040-12-1 Cat. No.: A1228988 Summenformel: C₂₄H₂₀N₄O₅S₂ Molekulargewicht: 508.57 PubChem CID: 380146

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N=[N+](C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N)[O-]

IUPAC Name

[4-(4-aminophenyl)sulfonylphenyl]-[4-(4-aminophenyl)sulfonylphenyl]imino-oxidoazanium

InChIKey

SMEWQWPADHSEIL-UHFFFAOYSA-N

INCHI

1S/C24H20N4O5S2/c25-17-1-9-21(10-2-17)34(30,31)23-13-5-19(6-14-23)27-28(29)20-7-15-24(16-8-20)35(32,33)22-11-3-18(26)4-12-22/h1-16H,25-26H2

Isomere SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N=[N+](C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N)[O-]

PubChem CID

380146

Molekulargewicht

508.57

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzenesulfonyl compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzenesulfonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonyl compounds
• Alternative Parents: Aniline and substituted anilines Sulfones Azoxy compounds Primary amines Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonyl group - Aniline or substituted anilines - Azoxy compound - Sulfone - Sulfonyl - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic salt - Organic oxide - Organic oxygen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 508.600 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 6
• Exact Mass: 508.088 Da
• Monoisotopic Mass: 508.088 Da
• Topological Polar Surface Area: 178.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 927.000
• 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