WYE-175829 - ≥98% , CAS No.327093-01-6

CAS: 327093-01-6 Cat. No.: W418282 Fórmula: C₁₃H₁₄N₂O₃S Peso molecular: 278.32686 Número CE: 101-590-3 PubChem CID: 3805067

GRADE & PURITY ≥98%

Synonyms

3-amino-N-(2-methoxyphenyl)-Benzenesulfonamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

inhibitor of tyrosine kinases; gonadotropin-releasing hormone antagonist;

Specifications

Sinónimos

3-amino-N-(2-methoxyphenyl)-Benzenesulfonamide

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

• ALogP: 1.554
• Contagem HBD: 2
• Ligação rotativa: 4

Nomes e identificadores

• Pubchem Sid: 488194578
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194578
• Sorrisos canónicos: COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)N
• IUPAC Name: 3-amino-N-(2-methoxyphenyl)benzenesulfonamide
• InChIKey: IRJQKCUTGSZFON-UHFFFAOYSA-N
• INCHI: 1S/C13H14N2O3S/c1-18-13-8-3-2-7-12(13)15-19(16,17)11-6-4-5-10(14)9-11/h2-9,15H,14H2,1H3
• SMILES isoméricas: COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)N
• PubChem CID: 3805067
• Peso molecular: 278.32686

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Sulfanilides Methoxyanilines Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aniline or substituted anilines - Alkyl aryl ether - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Ether - Primary amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
• 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 278.330 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 278.073 Da
• Monoisotopic Mass: 278.073 Da
• Topological Polar Surface Area: 89.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 380.000
• 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