N-Tosylbenzamide - ≥95% , CAS No.6971-74-0

CAS: 6971-74-0 Cat. No.: N589922 Formula: C₁₄H₁₃NO₃S Peso molecolare: 275.32 Numero EC: 230-202-6

GRADE & PURITY ≥95%

Synonyms

DTXSID2064527 | NSC67180 | NSC-67180 | N-((p-Tolyl)sulphonyl)benzamide | BRD-K50927196-001-01-0 | F0898-0188 | SR-01000446765 | N-Tosylbenzamide | SR-01000446765-1 | CCG-250126 | MFCD00431862 | N-(4-methylphenyl)sulfonylbenzamide | DS-7051 | N-benzoyl-4-m

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

Sinonimi

DTXSID2064527 | NSC67180 | NSC-67180 | N-((p-Tolyl)sulphonyl)benzamide | BRD-K50927196-001-01-0 | F0898-0188 | SR-01000446765 | N-Tosylbenzamide | SR-01000446765-1 | CCG-250126 | MFCD00431862 | N-(4-methylphenyl)sulfonylbenzamide | DS-7051 | N-benzoyl-4-m

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature,Desiccated

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2

IUPAC Name

N-(4-methylphenyl)sulfonylbenzamide

InChIKey

SGJFNRQZMRIAJP-UHFFFAOYSA-N

INCHI

1S/C14H13NO3S/c1-11-7-9-13(10-8-11)19(17,18)15-14(16)12-5-3-2-4-6-12/h2-10H,1H3,(H,15,16)

Isomeri SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC=CC=C2

Numero NSC

NSC Number': ['67180

Peso molecolare

275.32

Reaxy-Rn

2133923

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2133923&ln=

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: Tosyl compounds Benzoic acids and derivatives Benzenesulfonyl compounds Benzoyl derivatives Organosulfonic acids and derivatives Aminosulfonyl compounds Carboxylic acids and derivatives Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Tosyl compound - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Toluene - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Aromatic homomonocyclic 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

Obiettivi associati (non umani)

Hsd11b1 11-beta-hydroxysteroid dehydrogenase 1 (202 Activities)

Discover Target: Hsd11b1

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

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 275.320 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 275.062 Da
• Monoisotopic Mass: 275.062 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 399.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6971-74-0, the molecular formula is C14H13NO3S, and the molecular weight is 275.32 g/mol. InChIKey SGJFNRQZMRIAJP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.