Butazolamide , CAS No.16790-49-1

CAS: 16790-49-1 Cat. No.: B668303 Summenformel: C₆H₁₀N₄O₃S₂ Molekulargewicht: 250.3 PubChem CID: 519309

Synonyms

Butazolamide|N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide|N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide|SKF 4965|Butamide; SKF 4965|Butyramide, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-|2-m-Butyrylamino-1,3,4-thiadiazole-5-sulfonamide|Butanamide, N-(5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl)-|5-butyramido-2-sulfamoyl-1,3,4-thiadiazole|VFJ|BUTAZOLAMIDE [MI]

Storage

Room temperature

Spezifikationen

Synonyme

Butazolamide | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)butanamide | N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)butyramide | SKF 4965 | Butamide; SKF 4965 | Butyramide, N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)- | 2-m-Butyrylamino-1,3,4-thiadiazole-5-sulfonamide | Butanamide, N-(5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl)- | 5-butyramido-2-sulfamoyl-1,3,4 Show more

Storage

Room temperature

Produkteigenschaften

ALogP

0.6

Namen und Kennungen

Kanonisches Lächeln

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

IUPAC Name

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

InChIKey

HZIYHIRJHYIRQO-UHFFFAOYSA-N

INCHI

1S/C6H10N4O3S2/c1-2-3-4(11)8-5-9-10-6(14-5)15(7,12)13/h2-3H2,1H3,(H2,7,12,13)(H,8,9,11)

Isomere SMILES

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

PubChem CID

519309

Molekulargewicht

250.3

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 Fatty amides Heteroaromatic compounds Aminosulfonyl compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,3,4-thiadiazole-2-sulfonamide - N-arylamide - Fatty amide - Organosulfonic acid amide - Fatty acyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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: 250.300 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 4
• Exact Mass: 250.019 Da
• Monoisotopic Mass: 250.019 Da
• Topological Polar Surface Area: 152.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 326.000
• 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