2-Aminophenol-5-(N,N-dimethyl)sulfonamide - ≥95% , CAS No.41608-75-7

CAS: 41608-75-7 Cat. No.: A184441 Molecular Weight: 216.26

GRADE & PURITY ≥95%

Synonyms

41608-75-7|4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide|2-Aminophenol-5-(N,N-dimethyl)sulfonamide|EINECS 255-457-0|4-Amino-3-hydroxy-N,N-dimethylbenzenesulphonamide|Benzenesulfonamide, 4-amino-3-hydroxy-N,N-dimethyl-|MFCD00036092|SCHEMBL7933846|DTXSID

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

41608-75-7 | 4-amino-3-hydroxy-N, N-dimethylbenzenesulfonamide | 2-Aminophenol-5-(N, N-dimethyl)sulfonamide | EINECS 255-457-0 | 4-Amino-3-hydroxy-N, N-dimethylbenzenesulphonamide | Benzenesulfonamide, 4-amino-3-hydroxy-N, N-dimethyl- | MFCD00036092 | SCHEMBL7933846 | DTXSID

Specifications & Purity

≥95%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)O
• IUPAC Name: 4-amino-3-hydroxy-N,N-dimethylbenzenesulfonamide
• InChIKey: KYGLTUZWWALEFP-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2O3S/c1-10(2)14(12,13)6-3-4-7(9)8(11)5-6/h3-5,11H,9H2,1-2H3
• Isomeric SMILES: CN(C)S(=O)(=O)C1=CC(=C(C=C1)N)O
• Molecular Weight: 216.26
• Reaxy-Rn: 2844204
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2844204&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds o-Aminophenols Aniline and substituted anilines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aminosulfonyl compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - O-aminophenol - Aminophenol - Aniline or substituted anilines - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amine - Primary amine - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the 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

Chemical and Physical Properties

• Sensitivity: light sensitive
• Molecular Weight: 216.260 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 216.057 Da
• Monoisotopic Mass: 216.057 Da
• Topological Polar Surface Area: 92.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 283.000
• 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