4-[(3-Methylphenyl)amino]-3-pyridinesulfonamide - ≥98%(HPLC) , CAS No.72811-73-5

CAS: 72811-73-5 Cat. No.: M135279 Peso molecular: 263.32 Beilstein Registry Number: 5438165 Número EC: 615-805-8

GRADE & PURITY ≥98%(HPLC)

Synonyms

FT-0641424 | 4-(3-Methylphenyl)amino-3-Pyridine Sulfonamide | 4-(m-Tolylamino)pyridine-3-sulfonamide | 4-(3-methylphenyl-amino)-3-pyridine sulfonamide | 4-(3-methylphenylamino)-3-pyridine sulfonamide | 3-Pyridinesulfonamide, 4-((3-methylphenyl)amino)- | 4

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

4-[(3-Methylphenyl)amino]-3-pyridinesulfonamide is a Torasemide intermediate.
A Torasemide intermediate.

Specifications

Sinónimos

FT-0641424 | 4-(3-Methylphenyl)amino-3-Pyridine Sulfonamide | 4-(m-Tolylamino)pyridine-3-sulfonamide | 4-(3-methylphenyl-amino)-3-pyridine sulfonamide | 4-(3-methylphenylamino)-3-pyridine sulfonamide | 3-Pyridinesulfonamide, 4-((3-methylphenyl)amino)- | 4

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504760215
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760215
• Sonrisas canónicas: CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N
• IUPAC Name: 4-(3-methylanilino)pyridine-3-sulfonamide
• InChIKey: ZXPCUGWAKUIOOF-UHFFFAOYSA-N
• INCHI: 1S/C12H13N3O2S/c1-9-3-2-4-10(7-9)15-11-5-6-14-8-12(11)18(13,16)17/h2-8H,1H3,(H,14,15)(H2,13,16,17)
• Isómeros SMILES: CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N
• Peso molecular: 263.32
• Beilstein: 5438165
• Reaxy-Rn: 5438165
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5438165&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Pyridinesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinesulfonamides
• Alternative Parents: Aniline and substituted anilines Aminotoluenes Aminopyridines and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine-3-sulfonamide - Aniline or substituted anilines - Aminotoluene - Aminopyridine - Toluene - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Azacycle - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organic oxide - Amine - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridinesulfonamides. These are heterocyclic compounds containing a pyridine ring substituted by one or more sulfonamide groups.
• 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

• Sensibilidad: heat sensitive
• Punto de fusión (°C): 170 °C
• Peso molecular: 263.320 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 263.073 Da
• Monoisotopic Mass: 263.073 Da
• Topological Polar Surface Area: 93.500 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 366.000
• 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