4-Nitrobenzenesulfonamide - ≥98% , CAS No.6325-93-5

CAS: 6325-93-5 Cat. No.: N122539 Peso molecular: 202.19 Beilstein Registry Number: 11(4)193 Número EC: 228-691-6

GRADE & PURITY ≥98%

Synonyms

4NZ | 4-Nitrobenzolsulfonamide | BRN 2214218 | OXAMICACIDPOTASSIUMSALT | p-nitrophenyl sulfonamide | SB77424 | 4-Nitrobenzenesulphonamide | 3m8t | 4-Nitrobenzenesulfonamide, 97% | AE-641/00009013 | Cambridge id 5182475 | N11923 | 4-nitrobenzene-1-sulfonam

Storage

Room temperature

Shipped In

Normal

Descripción general

4-Nitrobenzenesulfonamide is the nitrene source during on pot procedure for copper(I)-catalyzed asymmetric alkene aziridination. It reacts with diazacrown ether, N,N′-dibenzyl-1,7,10,16-tetraoxo-4,13-diazacyclooctadecane to form molecular complexes.

Specifications

Sinónimos

4NZ | 4-Nitrobenzolsulfonamide | BRN 2214218 | OXAMICACIDPOTASSIUMSALT | p-nitrophenyl sulfonamide | SB77424 | 4-Nitrobenzenesulphonamide | 3m8t | 4-Nitrobenzenesulfonamide, 97% | AE-641/00009013 | Cambridge id 5182475 | N11923 | 4-nitrobenzene-1-sulfonam

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182785
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182785
• Sonrisas canónicas: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N
• IUPAC Name: 4-nitrobenzenesulfonamide
• InChIKey: QWKKYJLAUWFPDB-UHFFFAOYSA-N
• INCHI: 1S/C6H6N2O4S/c7-13(11,12)6-3-1-5(2-4-6)8(9)10/h1-4H,(H2,7,11,12)
• Isómeros SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N
• WGK Alemania: 3
• RTECS: DB2975000
• Peso molecular: 202.19
• Beilstein: 11(4)193
• Reaxy-Rn: 2214218
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2214218&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Nitrobenzenes Benzenesulfonyl compounds Nitroaromatic compounds Organosulfonamides Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Nitrobenzene - Benzenesulfonyl group - Nitroaromatic compound - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - C-nitro compound - Organic nitro compound - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: 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

Objetivos asociados (humanos)

CA2 Tclin Carbonic anhydrase 2 (1 Activities)

Discover Target: CA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

APP Tclin Amyloid-beta A4 protein (8510 Activities)

Discover Target: APP

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

CA5A Tclin Carbonic anhydrase VA (1168 Activities)

Discover Target: CA5A

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

Objetivos asociados (no humanos)

Carbonic anhydrase (69 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 182°C
• Peso molecular: 202.190 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 202.005 Da
• Monoisotopic Mass: 202.005 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 281.000
• 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