Sulfisoxazole diolamine , Bacterial dihydropteroate synthase inhibitor, CAS No.4299-60-9, Bacterial dihydropteroate synthase inhibitor

CAS: 4299-60-9 Cat. No.: S670927 Peso molecular: 372.4 PubChem CID: 20287

Synonyms

SULFISOXAZOLE DIOLAMINE | 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol | sulfisoxazole diethanolamine | SULFISOXAZOLE DIOLAMINE [ORANGE BOOK] | EINECS 224-308-1 | CHEMBL1200321 | Gantrisin (TN) | Diolamine, Sul

Storage

Room temperature

Specifications

Sinónimos

SULFISOXAZOLE DIOLAMINE | 4-amino-N-(3, 4-dimethyl-1, 2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol | sulfisoxazole diethanolamine | SULFISOXAZOLE DIOLAMINE [ORANGE BOOK] | EINECS 224-308-1 | CHEMBL1200321 | Gantrisin (TN) | Diolamine, Sul

Condiciones de almacenamiento de almacenamiento

Room temperature

Tipo de acción

INHIBITOR

Mecanismo de acción

Bacterial dihydropteroate synthase inhibitor

Nombres e identificadores

• Sonrisas canónicas: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N.C(CO)NCCO
• IUPAC Name: 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide;2-(2-hydroxyethylamino)ethanol
• InChIKey: FEPTXVIRMZIGFY-UHFFFAOYSA-N
• INCHI: 1S/C11H13N3O3S.C4H11NO2/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;6-3-1-5-2-4-7/h3-6,14H,12H2,1-2H3;5-7H,1-4H2
• Isómeros SMILES: CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N.C(CO)NCCO
• PubChem CID: 20287
• Peso molecular: 372.4

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: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Organosulfonamides Isoxazoles Heteroaromatic compounds Aminosulfonyl compounds 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Azacyclic compounds Primary amines Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Organosulfonic acid amide - Azole - Isoxazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - 1,2-aminoalcohol - Alkanolamine - Secondary aliphatic amine - Secondary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Alcohol - Organopnictogen compound - Primary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the 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: 372.400 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 372.147 Da
• Monoisotopic Mass: 372.147 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 402.000
• 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: 2

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