P-hidroxibenceno sulfonil anilida - ≥98% , CAS No.161356-05-4

CAS: 161356-05-4 Cat. No.: P294767 Peso molecular: 249.29 PubChem CID: 9921239

GRADE & PURITY ≥98%

Synonyms

N-phenyl-4-hydroxybenzenesulfonamide | BS-52226 | A3573 | MFCD03840793 | AKOS009292819 | SCHEMBL930801 | F71312 | Benzenesulfonamide, 4-hydroxy-N-phenyl- | DTXSID30432850 | 4-hydroxy-N-phenylbenzene-1-sulfonamide | 4-Hydroxy-N-phenylbenzene sulphonamide |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-phenyl-4-hydroxybenzenesulfonamide | BS-52226 | A3573 | MFCD03840793 | AKOS009292819 | SCHEMBL930801 | F71312 | Benzenesulfonamide, 4-hydroxy-N-phenyl- | DTXSID30432850 | 4-hydroxy-N-phenylbenzene-1-sulfonamide | 4-Hydroxy-N-phenylbenzene sulphonamide |

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488196434
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196434
• Sonrisas canónicas: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)O
• IUPAC Name: 4-hydroxy-N-phenylbenzenesulfonamide
• InChIKey: ZCDVIQXSESHKES-UHFFFAOYSA-N
• INCHI: 1S/C12H11NO3S/c14-11-6-8-12(9-7-11)17(15,16)13-10-4-2-1-3-5-10/h1-9,13-14H
• Isómeros SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)O
• PubChem CID: 9921239
• Peso molecular: 249.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aminosulfonyl compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: 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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 440.6±47.0 °C
• Punto de fusión (°C): 135-137 °C
• Peso molecular: 249.290 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.046 Da
• Monoisotopic Mass: 249.046 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 322.000
• 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