SN-011 - ≥98% , CAS No.2249435-90-1

CAS: 2249435-90-1 Cat. No.: S578984 Summenformel: C₂₅H₁₉FN₂O₄S Molekulargewicht: 462.49 EG-Nummer: 872-551-2 PubChem CID: 138005721

GRADE & PURITY ≥98%

Synonyms

N-(3-(4-Fluorophenylsulfonamido)-4-hydroxyphenyl)-[1,1'-biphenyl]-4-carboxamide | N-[3-[(4-Fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide | N-(3-((4-FLUOROPHENYL)SULFONAMIDO)-4-HYDROXYPHENYL)-[1,1'-BIPHENYL]-4-CARBOXAMIDE | SCHEMBL23226366

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

N-(3-(4-Fluorophenylsulfonamido)-4-hydroxyphenyl)-[1,1'-biphenyl]-4-carboxamide | N-[3-[(4-Fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide | N-(3-((4-FLUOROPHENYL)SULFONAMIDO)-4-HYDROXYPHENYL)-[1,1'-BIPHENYL]-4-CARBOXAMIDE | SCHEMBL23226366

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528767150

Kanonisches Lächeln

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)NS(=O)(=O)C4=CC=C(C=C4)F

IUPAC Name

N-[3-[(4-fluorophenyl)sulfonylamino]-4-hydroxyphenyl]-4-phenylbenzamide

InChIKey

GPXQUPCJIJBXHJ-UHFFFAOYSA-N

INCHI

1S/C25H19FN2O4S/c26-20-10-13-22(14-11-20)33(31,32)28-23-16-21(12-15-24(23)29)27-25(30)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-16,28-29H,(H,27,30)

Isomere SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)NS(=O)(=O)C4=CC=C(C=C4)F

PubChem CID

138005721

Molekulargewicht

462.49

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Benzenesulfonamides Benzamides Benzoyl derivatives Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Sulfonyls Organosulfonic acids and derivatives Vinyl fluorides Fluoroalkenes Carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Benzenesulfonamide - Benzoic acid or derivatives - Benzamide - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Fluorobenzene - N-acyl-amine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Fluoroalkene - Haloalkene - Vinyl halide - Vinyl fluoride - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

Zugehörige Ziele (menschlich)

HFF (3142 Activities)

Explore this target

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

Zugehörige Ziele (nicht menschlich)

MEF (1005 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 462.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 462.105 Da
• Monoisotopic Mass: 462.105 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 736.000
• 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