4-Chloro-3-(morpholine-4-sulfonyl)-phenylamine - ≥98% , CAS No.325724-68-3

CAS: 325724-68-3 Cat. No.: C183704 Molecular Weight: 276.7 EC Number: 113-149-2

GRADE & PURITY ≥98%

Synonyms

SR-01000323143-1 | SR-01000323143 | AS-871/42850744 | 4-Chloro-3-(morpholinosulfonyl)aniline | SCHEMBL9320042 | 4-chloro-3-(morpholine-4-sulfonyl)aniline | 4-Chloro-3-(morpholine-4-sulfonyl)-phenylamine | Z56771867 | DTXSID40390154 | 4-chloro-3-morpholin-

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SR-01000323143-1 | SR-01000323143 | AS-871/42850744 | 4-Chloro-3-(morpholinosulfonyl)aniline | SCHEMBL9320042 | 4-chloro-3-(morpholine-4-sulfonyl)aniline | 4-Chloro-3-(morpholine-4-sulfonyl)-phenylamine | Z56771867 | DTXSID40390154 | 4-chloro-3-morpholin-

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)N)Cl
• IUPAC Name: 4-chloro-3-morpholin-4-ylsulfonylaniline
• InChIKey: HJHVNNNCRKMFLQ-UHFFFAOYSA-N
• INCHI: 1S/C10H13ClN2O3S/c11-9-2-1-8(12)7-10(9)17(14,15)13-3-5-16-6-4-13/h1-2,7H,3-6,12H2
• Isomeric SMILES: C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)N)Cl
• Molecular Weight: 276.7
• Reaxy-Rn: 27157565
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27157565&ln=

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: Benzenesulfonyl compounds Aniline and substituted anilines Chlorobenzenes Primary aromatic amines Organosulfonamides Morpholines Aryl chlorides Sulfonyls Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Morpholine - Oxazinane - Primary aromatic amine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Dialkyl ether - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary amine - Organopnictogen compound - 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: 276.740 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 276.034 Da
• Monoisotopic Mass: 276.034 Da
• Topological Polar Surface Area: 81.000 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 351.000
• 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