N-(Furan-2-ylmethyl) 4-bromo-3-trifluoromethylbenzenesulfonamide - ≥98% , CAS No.1020252-97-4

CAS: 1020252-97-4 Cat. No.: N178802 Peso molecular: 384.2 PubChem CID: 46738704

GRADE & PURITY ≥98%

Synonyms

N-(Furan-2-ylmethyl)4-bromo-3-trifluoromethylbenzenesulfonamide | SB61103 | 4-Bromo-N-[(furan-2-yl)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide | 1020252-97-4 | MFCD09972153 | AKOS015835260 | BS-19187 | Benzenesulfonamide, 4-bromo-N-(2-furanylmethyl)-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

N-(Furan-2-ylmethyl)4-bromo-3-trifluoromethylbenzenesulfonamide | SB61103 | 4-Bromo-N-[(furan-2-yl)methyl]-3-(trifluoromethyl)benzene-1-sulfonamide | 1020252-97-4 | MFCD09972153 | AKOS015835260 | BS-19187 | Benzenesulfonamide, 4-bromo-N-(2-furanylmethyl)-

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=COC(=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Br)C(F)(F)F
• IUPAC Name: 4-bromo-N-(furan-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
• InChIKey: KZZVCZPJQLDWLR-UHFFFAOYSA-N
• INCHI: 1S/C12H9BrF3NO3S/c13-11-4-3-9(6-10(11)12(14,15)16)21(18,19)17-7-8-2-1-5-20-8/h1-6,17H,7H2
• Isómeros SMILES: C1=COC(=C1)CNS(=O)(=O)C2=CC(=C(C=C2)Br)C(F)(F)F
• PubChem CID: 46738704
• Peso molecular: 384.2

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: Trifluoromethylbenzenes Benzenesulfonyl compounds Bromobenzenes Organosulfonamides Aryl bromides Aminosulfonyl compounds Furans Heteroaromatic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organonitrogen compounds Organooxygen compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Organosulfonic acid amide - Heteroaromatic compound - Furan - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Oxacycle - Organoheterocyclic compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organosulfur 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: 384.170 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 382.944 Da
• Monoisotopic Mass: 382.944 Da
• Topological Polar Surface Area: 67.700 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 452.000
• 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