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

CAS: 6325-93-5 Cat. No.: N122539 Molecular Weight: 202.19 Beilstein Registry Number: 11(4)193 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182785
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182785
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N
• WGK Germany: 3
• RTECS: DB2975000
• Molecular Weight: 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
    • 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: 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
• 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

Associated Targets(Human)

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

Associated Targets(non-human)

Carbonic anhydrase (69 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 182°C
• Molecular Weight: 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