2-Methoxy-4-(morpholine-4-sulfonyl)-phenylamine - ≥97% , CAS No.380341-86-6

CAS: 380341-86-6 Cat. No.: M1351261 Molecular Weight: 272.32

GRADE & PURITY ≥97%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)N
• IUPAC Name: 2-methoxy-4-morpholin-4-ylsulfonylaniline
• InChIKey: KZIPUYQHEQYYPR-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O4S/c1-16-11-8-9(2-3-10(11)12)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7,12H2,1H3
• Molecular Weight: 272.32

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Aminophenyl ethers Benzenesulfonyl compounds Methoxyanilines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Morpholines Organosulfonamides Sulfonyls Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Aminophenyl ether - Benzenesulfonyl group - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Oxazinane - Morpholine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organoheterocyclic compound - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the 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

Chemical and Physical Properties

• Molecular Weight: 272.320 g/mol
• XLogP3: 0.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 272.083 Da
• Monoisotopic Mass: 272.083 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 362.000
• 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