2,4-dichloro-5-methyl-N-(3-morpholinopropyl)benzenesulfonamide , CAS No.325992-16-3

CAS: 325992-16-3 Cat. No.: D988435 Peso molecular: 367.300

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NCCCN2CCOCC2
• IUPAC Name: 2,4-dichloro-5-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
• InChIKey: XHRXZLNBTQISFV-UHFFFAOYSA-N
• INCHI: 1S/C14H20Cl2N2O3S/c1-11-9-14(13(16)10-12(11)15)22(19,20)17-3-2-4-18-5-7-21-8-6-18/h9-10,17H,2-8H2,1H3
• Peso molecular: 367.300

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Dichlorobenzenes Toluenes Organosulfonamides Morpholines Aryl chlorides Aminosulfonyl compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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: 367.300 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 366.057 Da
• Monoisotopic Mass: 366.057 Da
• Topological Polar Surface Area: 67.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 438.000
• 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