N-{4-[(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)sulfonyl]phenyl}acetamide , CAS No.695209-29-1

CAS: 695209-29-1 Cat. No.: N1005093 Peso molecular: 343.400

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2C3=CC=CC=C3
• IUPAC Name: N-[4-[(2-phenyl-4,5-dihydroimidazol-1-yl)sulfonyl]phenyl]acetamide
• InChIKey: GDVLOMUCESFOCX-UHFFFAOYSA-N
• INCHI: 1S/C17H17N3O3S/c1-13(21)19-15-7-9-16(10-8-15)24(22,23)20-12-11-18-17(20)14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,21)
• Peso molecular: 343.400

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: Acetanilides Benzenesulfonyl compounds N-acetylarylamines Imidolactams Acetamides Imidazolines Sulfonyls Organosulfonic acids and derivatives Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acetanilide - Benzenesulfonamide - N-acetylarylamine - Benzenesulfonyl group - Anilide - N-arylamide - Imidolactam - 2-imidazoline - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Amidine - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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: 343.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 343.099 Da
• Monoisotopic Mass: 343.099 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 583.000
• 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