P-hydroxybenzene sulfonyl anilide - ≥98% , CAS No.161356-05-4

CAS: 161356-05-4 Cat. No.: P294767 Molecular Weight: 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

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 |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488196434
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196434
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)O
• PubChem CID: 9921239
• Molecular Weight: 249.29

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 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
• 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

Mechanisms of Action

Chemical and Physical Properties

• Boil Point(°C): 440.6±47.0 °C
• Melt Point(°C): 135-137 °C
• Molecular Weight: 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