4-Amino-N,N-dimethylbenzenesulfonamide - ≥98% , CAS No.1709-59-7

CAS: 1709-59-7 Cat. No.: N182038 Molecular Weight: 200.3 EC Number: 216-970-5

GRADE & PURITY ≥98%

Synonyms

4-Amino-N,N-dimethylbenzenesulfonamide|1709-59-7|N,N-Dimethylsulfanilamide|4-Amino-N,N-dimethyl-benzenesulfonamide|Benzenesulfonamide, 4-amino-N,N-dimethyl-|N,N-Dimethyl 4-aminobenzenesulfonamide|N1,N1-Dimethylsulfanilamide|4-Amino-N,N-dimethylbenzenesulp

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

4-Amino-N, N-dimethylbenzenesulfonamide | 1709-59-7 | N, N-Dimethylsulfanilamide | 4-Amino-N, N-dimethyl-benzenesulfonamide | Benzenesulfonamide, 4-amino-N, N-dimethyl- | N, N-Dimethyl 4-aminobenzenesulfonamide | N1, N1-Dimethylsulfanilamide | 4-Amino-N, N-dimethylbenzenesulp

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754805
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754805
• Canonical Smiles: CN(C)S(=O)(=O)C1=CC=C(C=C1)N
• IUPAC Name: 4-amino-N,N-dimethylbenzenesulfonamide
• InChIKey: BABGMPQXLCJMSK-UHFFFAOYSA-N
• INCHI: 1S/C8H12N2O2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
• Isomeric SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)N
• Molecular Weight: 200.3
• Reaxy-Rn: 1842113
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1842113&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 Aniline and substituted anilines Organosulfonamides Aminosulfonyl compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic oxygen compound - Organic nitrogen compound - Amine - Primary amine - Organosulfur compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - 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

Associated Targets(non-human)

folP Dihydropteroate synthase (129 Activities)

Discover Target: folP

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Melt Point(°C): 168-170°C
• Molecular Weight: 200.260 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 200.062 Da
• Monoisotopic Mass: 200.062 Da
• Topological Polar Surface Area: 71.800 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 248.000
• 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