N-(4-ethoxyphenyl)morpholine-4-sulfonamide , CAS No.838871-06-0

CAS: 838871-06-0 Cat. No.: N938376 Molecular Weight: 286.350

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CCOC1=CC=C(C=C1)NS(=O)(=O)N2CCOCC2
• IUPAC Name: N-(4-ethoxyphenyl)morpholine-4-sulfonamide
• InChIKey: NHDLHIPLOGGCGP-UHFFFAOYSA-N
• INCHI: 1S/C12H18N2O4S/c1-2-18-12-5-3-11(4-6-12)13-19(15,16)14-7-9-17-10-8-14/h3-6,13H,2,7-10H2,1H3
• Molecular Weight: 286.350

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Sulfuric acid diamides Morpholines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Sulfanilide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Morpholine - Sulfuric acid diamide - Oxazinane - Organic sulfuric acid or derivatives - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

• Molecular Weight: 286.350 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 286.099 Da
• Monoisotopic Mass: 286.099 Da
• Topological Polar Surface Area: 76.300 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 354.000
• 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