Isomerase, glucose , CAS No.9055-00-9

CAS: 9055-00-9 Cat. No.: I1307339 Formula: C₁₇H₁₇ClN₂O₃S Peso molecolare: 364.8 Numero EC: 232-944-6

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

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Nomi e identificatori

Sorrisi canonici

C1CN(CCN1C(=O)C2=CC=CC=C2Cl)S(=O)(=O)C3=CC=CC=C3

IUPAC Name

[4-(benzenesulfonyl)piperazin-1-yl]-(2-chlorophenyl)methanone

InChIKey

WNQJZQMIEZWFIN-UHFFFAOYSA-N

INCHI

1S/C17H17ClN2O3S/c18-16-9-5-4-8-15(16)17(21)19-10-12-20(13-11-19)24(22,23)14-6-2-1-3-7-14/h1-9H,10-13H2

Peso molecolare

364.8

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: 2-halobenzoic acids and derivatives Benzamides Benzenesulfonyl compounds Benzoyl derivatives Chlorobenzenes Aryl chlorides Piperazines Organosulfonamides Vinylogous halides Sulfonyls Tertiary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzamide - Benzenesulfonyl group - Benzoic acid or derivatives - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Vinylogous halide - Tertiary carboxylic acid amide - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 364.800 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 364.065 Da
• Monoisotopic Mass: 364.065 Da
• Topological Polar Surface Area: 66.100 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 535.000
• 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