2-Oxoindoline-5-sulfonyl chloride - ≥95% , CAS No.199328-31-9

CAS: 199328-31-9 Cat. No.: C182526 Molecular Weight: 231.66 EC Number: 638-957-7

GRADE & PURITY ≥95%

Synonyms

MFCD06655924 | 5-chlorosulfonyl-2-oxindole | 2-Oxindole-5-sulfonyl chloride | 2-Oxoindoline-5-sulfonyl chloride | 2-oxoindoline-5-sulfonylchloride | 2-Oxoindoline-5-sulphonyl chloride | 1H-Indole-5-sulfonyl chloride, 2,3-dihydro-2-oxo- | 5-chlorosulphonyl

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

MFCD06655924 | 5-chlorosulfonyl-2-oxindole | 2-Oxindole-5-sulfonyl chloride | 2-Oxoindoline-5-sulfonyl chloride | 2-oxoindoline-5-sulfonylchloride | 2-Oxoindoline-5-sulphonyl chloride | 1H-Indole-5-sulfonyl chloride, 2, 3-dihydro-2-oxo- | 5-chlorosulphonyl

Specifications & Purity

≥95%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1C2=C(C=CC(=C2)S(=O)(=O)Cl)NC1=O
• IUPAC Name: 2-oxo-1,3-dihydroindole-5-sulfonyl chloride
• InChIKey: FYBNVKMJOOYPGI-UHFFFAOYSA-N
• INCHI: 1S/C8H6ClNO3S/c9-14(12,13)6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
• Isomeric SMILES: C1C2=C(C=CC(=C2)S(=O)(=O)Cl)NC1=O
• Molecular Weight: 231.66
• Reaxy-Rn: 8483463
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8483463&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Benzenoids Sulfonyls Sulfonyl chlorides Organosulfonic acids and derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl chloride - Sulfonyl halide - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• 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: Moisture sensitive
• Molecular Weight: 231.660 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 230.976 Da
• Monoisotopic Mass: 230.976 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 348.000
• 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