3,4-Dichloro-2-methoxy-N-(2-morpholin-4-yl-ethyl)-benzenesulfonamide , CAS No.446309-15-5

CAS: 446309-15-5 Cat. No.: D1009820 Peso molecular: 369.300

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C=CC(=C1Cl)Cl)S(=O)(=O)NCCN2CCOCC2
• IUPAC Name: 3,4-dichloro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
• InChIKey: KPKWNMHPKAZALL-UHFFFAOYSA-N
• INCHI: 1S/C13H18Cl2N2O4S/c1-20-13-11(3-2-10(14)12(13)15)22(18,19)16-4-5-17-6-8-21-9-7-17/h2-3,16H,4-9H2,1H3
• Peso molecular: 369.300

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 Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Alkyl aryl ethers Organosulfonamides Aryl chlorides Morpholines Aminosulfonyl compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Anisole - 1,2-dichlorobenzene - Phenol ether - Methoxybenzene - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Organosulfonic acid amide - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Oxacycle - Dialkyl ether - Ether - Azacycle - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Amine - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - 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: 369.300 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 368.036 Da
• Monoisotopic Mass: 368.036 Da
• Topological Polar Surface Area: 76.300 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 440.000
• 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