4-Acetamidobenzenesulfonyl azide - ≥95% , CAS No.2158-14-7

CAS: 2158-14-7 Cat. No.: A114795 Molecular Weight: 240.24 Beilstein Registry Number: 2219568 EC Number: 606-801-7

GRADE & PURITY ≥95%

Synonyms

NSC82543 | NSC-82543 | p-acetamidobenzenesulfonyl azide | 4-Acetamidobenzensesulfonyl azide | p-acetamidobenzensulfonyl azide | J-014157 | J-514273 | NS-00009 | EN300-86232 | 4-(acetylamino)benzenesulfonyl azide | BCP29216 | 4-Acetylaminobenzenesulfonylaz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

NSC82543 | NSC-82543 | p-acetamidobenzenesulfonyl azide | 4-Acetamidobenzensesulfonyl azide | p-acetamidobenzensulfonyl azide | J-014157 | J-514273 | NS-00009 | EN300-86232 | 4-(acetylamino)benzenesulfonyl azide | BCP29216 | 4-Acetylaminobenzenesulfonylaz

Specifications & Purity

≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488195101
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195101
• Canonical Smiles: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
• IUPAC Name: N-(4-azidosulfonylphenyl)acetamide
• InChIKey: NTMHWRHEGDRTPD-UHFFFAOYSA-N
• INCHI: 1S/C8H8N4O3S/c1-6(13)10-7-2-4-8(5-3-7)16(14,15)12-11-9/h2-5H,1H3,(H,10,13)
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]
• WGK Germany: 3
• Molecular Weight: 240.24
• Beilstein: 2219568
• Reaxy-Rn: 2219568
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2219568&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: Benzenesulfonamides
• Alternative Parents: Acetanilides N-acetylarylamines Benzenesulfonyl compounds Sulfonyl azides Organosulfonic acids and derivatives Acetamides Secondary carboxylic acid amides Organic azides Organic zwitterions Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - Benzenesulfonamide - N-acetylarylamine - Benzenesulfonyl group - Anilide - Sulfonyl azide - N-arylamide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Acetamide - Secondary carboxylic acid amide - Organic azide - Carboxamide group - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic zwitterion - Organic salt - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a 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

• Solubility: Insoluble in water.
• Sensitivity: heat sensitive
• Melt Point(°C): 107-111°C
• Molecular Weight: 240.240 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 240.032 Da
• Monoisotopic Mass: 240.032 Da
• Topological Polar Surface Area: 86.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 399.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 1
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

References

1. Lingling Xi, Danwei Zhang, Fengli Wang, Zhongping Huang, Ting Ni.  (2016)  Layer-by-layer assembly of poly(p-aminobenzene sulfonic acid)/quaternary amine functionalized carbon nanotube/p-aminobenzene sulfonic acid composite film on glassy carbon electrode for the determination of ascorbic acid.  JOURNAL OF ELECTROANALYTICAL CHEMISTRY,      [PMID:] [10.1016/j.jelechem.2016.01.015]