Sulfaproxiline - Moligand™, ≥98% , CAS No.116-42-7

CAS: 116-42-7 Cat. No.: S694166 分子式: C₁₆H₁₈N₂O₄S 分子量: 334.39 EC番号: 204-140-5

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sulfaproxylin | Sulfaproxyline

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

概要

Sulfaproxiline is a synthetic antimicrobial agent that is sulfonamide.

Specifications

同義語

Sulfaproxylin | Sulfaproxyline

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC(C)OC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N
• IUPAC Name: N-(4-aminophenyl)sulfonyl-4-propan-2-yloxybenzamide
• InChIKey: FBFBRAFXKGRRHI-UHFFFAOYSA-N
• INCHI: 1S/C16H18N2O4S/c1-11(2)22-14-7-3-12(4-8-14)16(19)18-23(20,21)15-9-5-13(17)6-10-15/h3-11H,17H2,1-2H3,(H,18,19)
• 異性体SMILES: CC(C)OC1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)N
• 代替CAS番号: 116-42-7
• NSC番号: 120646
• MeSH用語: N-((4-aminophenyl)sulfonyl)-4-(1-methylethoxy)benzamide;sulfaproxyline
• 分子量: 334.39

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzoic acids and derivatives Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzoyl derivatives Aniline and substituted anilines Alkyl aryl ethers Organosulfonic acids and derivatives Aminosulfonyl compounds Amino acids and derivatives Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• 説明: 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

化学的性質と物理的性質

• 感度: Moisture sensitive
• 分子量: 334.400 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 334.099 Da
• Monoisotopic Mass: 334.099 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 485.000
• 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