4-(Hydroxyamino)-N-(2-(naphthalen-2-yloxy)ethyl)benzenesulfonamide - ≥97% , CAS No.188480-50-4

CAS: 188480-50-4 Cat. No.: H1034689 Molecular Weight: 358.400

GRADE & PURITY ≥97%

Storage

Room temperature

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Action Type

INHIBITOR

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C=C(C=CC2=C1)OCCNS(=O)(=O)C3=CC=C(C=C3)NO
• IUPAC Name: 4-(hydroxyamino)-N-(2-naphthalen-2-yloxyethyl)benzenesulfonamide
• InChIKey: WPPIAVCIUZNQCQ-UHFFFAOYSA-N
• INCHI: 1S/C18H18N2O4S/c21-20-16-6-9-18(10-7-16)25(22,23)19-11-12-24-17-8-5-14-3-1-2-4-15(14)13-17/h1-10,13,19-21H,11-12H2
• Molecular Weight: 358.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Phenol ethers N-phenylhydroxylamines Arylhydroxamates 1-hydroxylamino, 2-unsubstituted benzenoids Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds N-organohydroxylamines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Benzenesulfonamide - Naphthalene - Benzenesulfonyl group - N-phenylhydroxylamine - 1-hydroxylamino, 2-unsubstituted benzenoid - Arylhydroxamate - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - N-organohydroxylamine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

• Molecular Weight: 358.400 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 358.099 Da
• Monoisotopic Mass: 358.099 Da
• Topological Polar Surface Area: 96.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 500.000
• 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