2-Methoxy-5-(N-phthalimidinyl)benzenesulfonyl chloride - for fluorescence analysis, ≥97%(CHN) , CAS No.126565-42-2

CAS: 126565-42-2 Cat. No.: M120817 Molecular Weight: 337.78 EC Number: 688-240-8 PubChem CID: 4602893

GRADE & PURITY for Fluorescence analysis, ≥97%(CHN)

Synonyms

126565-42-2|M-Phisyl-chloride|2-methoxy-5-(3-oxo-1H-isoindol-2-yl)benzenesulfonyl Chloride|2-Methoxy-5-(N-phthalimidinyl)benzenesulfonyl chloride|2-Methoxy-5-(1-oxoisoindolin-2-yl)benzene-1-sulfonyl chloride|2-methoxy-5-(1-oxoisoindolin-2-yl)benzenesulfon

Storage

Argon charged,Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

126565-42-2 | M-Phisyl-chloride | 2-methoxy-5-(3-oxo-1H-isoindol-2-yl)benzenesulfonyl Chloride | 2-Methoxy-5-(N-phthalimidinyl)benzenesulfonyl chloride | 2-Methoxy-5-(1-oxoisoindolin-2-yl)benzene-1-sulfonyl chloride | 2-methoxy-5-(1-oxoisoindolin-2-yl)benzenesulfon

Specifications & Purity

for fluorescence analysis, ≥97%(CHN)

Storage

Argon charged, Desiccated, Room temperature

Shipped In

Normal

Grade

for Fluorescence analysis

Purity

≥97%(CHN)

Names and Identifiers

• Canonical Smiles: COC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=O)S(=O)(=O)Cl
• IUPAC Name: 2-methoxy-5-(3-oxo-1H-isoindol-2-yl)benzenesulfonyl chloride
• InChIKey: ABWFLHUIHQOEBX-UHFFFAOYSA-N
• INCHI: 1S/C15H12ClNO4S/c1-21-13-7-6-11(8-14(13)22(16,19)20)17-9-10-4-2-3-5-12(10)15(17)18/h2-8H,9H2,1H3
• Isomeric SMILES: COC1=C(C=C(C=C1)N2CC3=CC=CC=C3C2=O)S(=O)(=O)Cl
• WGK Germany: 3
• PubChem CID: 4602893
• Molecular Weight: 337.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Benzenesulfonyl chlorides Isoindoles Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Sulfonyl chlorides Sulfonyls Tertiary carboxylic acid amides Organosulfonic acids and derivatives Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Benzenesulfonyl chloride - Isoindole - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Sulfonyl - Sulfonyl halide - Sulfonyl chloride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Molecular Weight: 337.800 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 337.018 Da
• Monoisotopic Mass: 337.018 Da
• Topological Polar Surface Area: 72.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 532.000
• 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