4-(2-Chloropyridin-3-ylsulfonyl)morpholine - ≥98% , CAS No.60597-72-0

CAS: 60597-72-0 Cat. No.: C185519 Peso molecular: 262.7

GRADE & PURITY ≥98%

Synonyms

2-chloro-3-morpholinosulfonylpyridine | 4-[(2-chloropyridin-3-yl)sulfonyl]morpholine | Morpholine,4-[(2-chloro-3-pyridinyl)sulfonyl]- | 4-(2-Chloropyridin-3-ylsulfonyl)morpholine | BS-23137 | 4-((2-Chloropyridin-3-yl)sulfonyl)morpholine | 4-(2-Chloropyrid

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-chloro-3-morpholinosulfonylpyridine | 4-[(2-chloropyridin-3-yl)sulfonyl]morpholine | Morpholine, 4-[(2-chloro-3-pyridinyl)sulfonyl]- | 4-(2-Chloropyridin-3-ylsulfonyl)morpholine | BS-23137 | 4-((2-Chloropyridin-3-yl)sulfonyl)morpholine | 4-(2-Chloropyrid

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1COCCN1S(=O)(=O)C2=C(N=CC=C2)Cl
• IUPAC Name: 4-(2-chloropyridin-3-yl)sulfonylmorpholine
• InChIKey: YCOYJCWIMIBSNF-UHFFFAOYSA-N
• INCHI: 1S/C9H11ClN2O3S/c10-9-8(2-1-3-11-9)16(13,14)12-4-6-15-7-5-12/h1-3H,4-7H2
• Isómeros SMILES: C1COCCN1S(=O)(=O)C2=C(N=CC=C2)Cl
• Peso molecular: 262.7
• Reaxy-Rn: 1133027
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1133027&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: 2-halopyridines Organosulfonamides Morpholines Aryl chlorides Sulfonyls Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine-3-sulfonamide - 2-halopyridine - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Ether - Dialkyl ether - Azacycle - Oxacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen 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

Propiedades químicas y físicas

• Peso molecular: 262.710 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 262.018 Da
• Monoisotopic Mass: 262.018 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 324.000
• 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