ML329 - ≥98% , CAS No.19992-50-8

CAS: 19992-50-8 Cat. No.: M412202 Summenformel: C₁₆H₁₂N₂O₄S Molekulargewicht: 328.34

GRADE & PURITY ≥98%

Synonyms

HY-101464 | 4-[(1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide | ML329 | ML-329 | SCHEMBL16296690 | BS-15787 | 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)amino]benzene-1-sulfonamide | 4-((1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzenesulfonamide | CH

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

HY-101464 | 4-[(1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide | ML329 | ML-329 | SCHEMBL16296690 | BS-15787 | 4-[(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)amino]benzene-1-sulfonamide | 4-((1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino)benzenesulfonamide | CH

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504767088
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767088
• Kanonisches Lächeln: C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)S(=O)(=O)N
• IUPAC Name: 4-[(1,4-dioxonaphthalen-2-yl)amino]benzenesulfonamide
• InChIKey: CSYFFQVEQXEIAB-UHFFFAOYSA-N
• INCHI: 1S/C16H12N2O4S/c17-23(21,22)11-7-5-10(6-8-11)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18H,(H2,17,21,22)
• Isomere SMILES: C1=CC=C2C(=C1)C(=O)C=C(C2=O)NC3=CC=C(C=C3)S(=O)(=O)N
• Molekulargewicht: 328.34
• Reaxy-Rn: 3068336
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3068336&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthoquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthoquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthoquinones
• Alternative Parents: Aminobenzenesulfonamides Benzenesulfonyl compounds Quinones Aryl ketones Aniline and substituted anilines Secondary alkylarylamines Organosulfonamides Vinylogous amides Aminosulfonyl compounds Enamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthoquinone - Aminobenzenesulfonamide - Benzenesulfonamide - Benzenesulfonyl group - Quinone - Aryl ketone - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Organosulfonic acid amide - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ketone - Enamine - Secondary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Amine - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthoquinones. These are compounds containing a naphthohydroquinone moiety, which consists of a benzene ring linearly fused to a bezene-1,4-dione (quinone).
• 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 328.300 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 328.052 Da
• Monoisotopic Mass: 328.052 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 627.000
• 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