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

CAS: 327093-01-6 Cat. No.: W418282 Formule: C₁₃H₁₄N₂O₃S Poids moléculaire: 278.32686 Numéro 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

Vue d’ensemble

inhibitor of tyrosine kinases; gonadotropin-releasing hormone antagonist;

Specifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Propriétés du produit

ALogP

1.554

Nombre de HBD

2

Liaison rotative

4

Noms et identifiants

Pubchem Sid

488194578

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194578

Sourires canoniques

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

Isomères SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=CC=CC(=C2)N

PubChem CID

3805067

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 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