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

CAS: 72811-73-5 Cat. No.: M135279 Molecular Weight: 263.32 Beilstein Registry Number: 5438165 EC Number: 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

Overview

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

Specifications

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

Specifications & Purity

≥98%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504760215
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760215
• Canonical Smiles: 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)
• Isomeric SMILES: CC1=CC(=CC=C1)NC2=C(C=NC=C2)S(=O)(=O)N
• Molecular Weight: 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
    • Class Pyridines and derivatives
      • Subclass Pyridinesulfonamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: heat sensitive
• Melt Point(°C): 170 °C
• Molecular Weight: 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