Propazolamide , CAS No.98-75-9

CAS: 98-75-9 Cat. No.: P669089 Summenformel: C₅H₈N₄O₃S₂ Molekulargewicht: 236.3 PubChem CID: 10354098

Synonyms

Propazolamide|Propazolamide [INN]|N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide|5-propylamido-2-sulfamoyl-1,3,4-thiadiazole|5-Propionamido-1,3,4-thiadiazole-2-sulfonamide|VFG|N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide

Storage

Room temperature

Spezifikationen

Synonyme

Propazolamide | Propazolamide [INN] | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide | 5-propylamido-2-sulfamoyl-1,3,4-thiadiazole | 5-Propionamido-1,3,4-thiadiazole-2-sulfonamide | VFG | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propionamide

Storage

Room temperature

Produkteigenschaften

ALogP

0.2

Namen und Kennungen

Kanonisches Lächeln

CCC(=O)NC1=NN=C(S1)S(=O)(=O)N

IUPAC Name

N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

InChIKey

PCBBBQKRWNGNDW-UHFFFAOYSA-N

INCHI

1S/C5H8N4O3S2/c1-2-3(10)7-4-8-9-5(13-4)14(6,11)12/h2H2,1H3,(H2,6,11,12)(H,7,8,10)

Isomere SMILES

CCC(=O)NC1=NN=C(S1)S(=O)(=O)N

PubChem CID

10354098

Molekulargewicht

236.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Azoles
      • Subclass Thiadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Thiadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiadiazole sulfonamides
• Alternative Parents: N-arylamides Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,4-thiadiazole-2-sulfonamide - N-arylamide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as thiadiazole sulfonamides. These are heterocyclic compounds containing a thiazole ring substituted by at least one sulfonamide group.
• 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

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CA4 Carbonic anhydrase IV (1713 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 236.300 g/mol
• XLogP3: 0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 236.004 Da
• Monoisotopic Mass: 236.004 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 311.000
• 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