4-Hydroxybenzenesulfonamide - ≥97% , CAS No.1576-43-8

CAS: 1576-43-8 Cat. No.: H138312 分子式: C₆H₇NO₃S 分子量: 173.19 EC番号: 216-408-9

GRADE & PURITY ≥97%

Synonyms

Benzenesulfonamide, 4-hydroxy- | BP-10587 | SY045622 | p-Hydroxy-benzene derivative, 3a | 1IIT7R7VPJ | 4-Hydroxybenzenesulfonamide | K4N | Z360053740 | 1-(2-Furyl)ethanone | 1-PHENOL-4-SULFONAMIDE | 4-Sulfamoylphenol | QY3BV00PCY | AB01206063-03 | NSC2084

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

同義語

Benzenesulfonamide, 4-hydroxy- | BP-10587 | SY045622 | p-Hydroxy-benzene derivative, 3a | 1IIT7R7VPJ | 4-Hydroxybenzenesulfonamide | K4N | Z360053740 | 1-(2-Furyl)ethanone | 1-PHENOL-4-SULFONAMIDE | 4-Sulfamoylphenol | QY3BV00PCY | AB01206063-03 | NSC2084

仕様と純度

≥97%

保管条件

Argon charged,Room temperature

入荷

Normal

純度

≥97%

名前と識別子

• パブケム・シド: 488184866
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488184866
• カノニカル・スマイル: C1=CC(=CC=C1O)S(=O)(=O)N
• IUPAC Name: 4-hydroxybenzenesulfonamide
• InChIKey: DIRCLGLKRZLKHG-UHFFFAOYSA-N
• INCHI: 1S/C6H7NO3S/c7-11(9,10)6-3-1-5(8)2-4-6/h1-4,8H,(H2,7,9,10)
• 異性体SMILES: C1=CC(=CC=C1O)S(=O)(=O)N
• 分子量: 173.19
• Reaxy-Rn: 1869258
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869258&ln=

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: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aminosulfonyl compounds Organooxygen compounds Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: 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

関連ターゲット（人間）

CA1 Tclin Carbonic anhydrase 1 (5 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase 2 (16 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

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

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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

CCRF-CEM (65223 Activities)

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関連ターゲット（非人間）

L1210 (27553 Activities)

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

ca1 Delta carbonic anhydrase (40 Activities)

Discover Target: ca1

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility in Methanol very faint turbidity
• 融点（°C）: 174 - 178.0 °C
• 分子量: 173.190 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 173.015 Da
• Monoisotopic Mass: 173.015 Da
• Topological Polar Surface Area: 88.800 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 210.000
• 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

参考文献

1. Shumin Hu, Qiuli Cheng, Yulu Shang, Zhihao Wang, Rui Zhu, Leitao Zhang, Wenlan Wu, Shouren Zhang, Junbo Li.  (2023)  Synthesis of pH-responsive polyzwitterions for activated cellular uptake and tumor accumulation of gold nanoparticles at tumorous acidity.  Biomedical Materials,  18  (2): (025003).  [PMID:36645918] [10.1088/1748-605X/acb394]

2. Shang-Xiong Wei, Yu-Hang Yang, Xue-Bo Liu, Xiao-Bin Ye, Xiao-Peng Zhao, Xue-Wei Pi, Xue-Feng Cheng, Jing-Hui He.  (2025)  Laser-induced PdCu alloy catalysts for highly efficient and stable electrocatalytic nitrate reduction to ammonia.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:40056684] [10.1016/j.jcis.2025.02.210]