N-[1-(Hidroximetil)propil]-4-metilbencenosulfonamida - ≥97% , CAS No.304460-78-4

CAS: 304460-78-4 Cat. No.: N169425 Peso molecular: 243.32 Número EC: 632-253-3

GRADE & PURITY ≥97%

Synonyms

AKOS005141055 | Benzenesulfonamide, N-[1-(hydroxymethyl)propyl]-4-methyl- | SY018393 | STL261924 | N-[1-(HYDROXYMETHYL)PROPYL]-4-METHYL-1-BENZENESULFONAMIDE | N-(1-(HYDROXYMETHYL)PROPYL)-4-METHYLBENZENESULFONAMIDE | SCHEMBL1609621 | SALOR-INT L173339-1EA;

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

AKOS005141055 | Benzenesulfonamide, N-[1-(hydroxymethyl)propyl]-4-methyl- | SY018393 | STL261924 | N-[1-(HYDROXYMETHYL)PROPYL]-4-METHYL-1-BENZENESULFONAMIDE | N-(1-(HYDROXYMETHYL)PROPYL)-4-METHYLBENZENESULFONAMIDE | SCHEMBL1609621 | SALOR-INT L173339-1EA;

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCC(CO)NS(=O)(=O)C1=CC=C(C=C1)C
• IUPAC Name: N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
• InChIKey: LJSHGNALHZTWHB-UHFFFAOYSA-N
• INCHI: 1S/C11H17NO3S/c1-3-10(8-13)12-16(14,15)11-6-4-9(2)5-7-11/h4-7,10,12-13H,3,8H2,1-2H3
• Isómeros SMILES: CCC(CO)NS(=O)(=O)C1=CC=C(C=C1)C
• Peso molecular: 243.32
• Reaxy-Rn: 15752817
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15752817&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Toluenes
        • Level5 Tosyl compounds
          • Level6 P-toluenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Tosyl compounds
• Direct Parent: P-toluenesulfonamides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Organosulfonamides Aminosulfonyl compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: P-toluenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as p-toluenesulfonamides. These are aromatic heterocyclic compounds containing a toluene that is p-substituted with a 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

Objetivos asociados (no humanos)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 243.320 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 243.093 Da
• Monoisotopic Mass: 243.093 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 289.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1