N-{4-[(4-hydroxyphenyl)(methyl)sulfamoyl]phenyl}acetamide - ≥95% , CAS No.343935-62-6

CAS: 343935-62-6 Cat. No.: N1036135 Molecular Weight: 320.400

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)O
• IUPAC Name: N-[4-[(4-hydroxyphenyl)-methylsulfamoyl]phenyl]acetamide
• InChIKey: QNUMCSUIAGXGGL-UHFFFAOYSA-N
• INCHI: 1S/C15H16N2O4S/c1-11(18)16-12-3-9-15(10-4-12)22(20,21)17(2)13-5-7-14(19)8-6-13/h3-10,19H,1-2H3,(H,16,18)
• Molecular Weight: 320.400

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Acetanilides N-acetylarylamines Benzenesulfonyl compounds 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aminosulfonyl compounds Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - Benzenesulfonamide - Sulfanilide - N-acetylarylamine - Benzenesulfonyl group - Anilide - N-arylamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Acetamide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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: 320.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 320.083 Da
• Monoisotopic Mass: 320.083 Da
• Topological Polar Surface Area: 95.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 472.000
• 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