2-Aminophenol-4-sulfonamide - ≥97% , CAS No.98-32-8

CAS: 98-32-8 Cat. No.: A151612 Molecular Weight: 188.2 EC Number: 202-657-0

GRADE & PURITY ≥97%

Synonyms

STL122233 | 3-azanyl-4-oxidanyl-benzenesulfonamide | AS-11973 | 3-amino-4-hydroxybenzene-1-sulfonamide | 2-AMINO-4-SULFAMOYLPHENOL | A1031 | A845842 | AKOS000592976 | EN300-01211 | D70671 | NSC 4976 | InChI=1/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

STL122233 | 3-azanyl-4-oxidanyl-benzenesulfonamide | AS-11973 | 3-amino-4-hydroxybenzene-1-sulfonamide | 2-AMINO-4-SULFAMOYLPHENOL | A1031 | A845842 | AKOS000592976 | EN300-01211 | D70671 | NSC 4976 | InChI=1/C6H8N2O3S/c7-5-3-4(12(8, 10)11)1-2-6(5)9/h1-3, 9

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488183855
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183855
• Canonical Smiles: C1=CC(=C(C=C1S(=O)(=O)N)N)O
• IUPAC Name: 3-amino-4-hydroxybenzenesulfonamide
• InChIKey: AVQFHKYAVVQYQO-UHFFFAOYSA-N
• INCHI: 1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11)
• Isomeric SMILES: C1=CC(=C(C=C1S(=O)(=O)N)N)O
• Molecular Weight: 188.2
• Reaxy-Rn: 514764
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=514764&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminobenzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds o-Aminophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Organosulfonamides Aminosulfonyl compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzenesulfonamide - Benzenesulfonyl group - O-aminophenol - Aminophenol - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxide - Amine - Primary amine - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

CA12 Tclin Carbonic anhydrase 12 (1 Activities)

Discover Target: CA12

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

CA9 Tclin Carbonic anhydrase 9 (1 Activities)

Discover Target: CA9

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

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

CA12 Tclin Carbonic anhydrase XII (6231 Activities)

Discover Target: CA12

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Air Sensitive
• Melt Point(°C): 199 °C
• Molecular Weight: 188.210 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 188.026 Da
• Monoisotopic Mass: 188.026 Da
• Topological Polar Surface Area: 115.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 246.000
• 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

References

1. Guangcun Qian, Deliang Zhu, Jiangnan Li, Yu Li, Hongyan Tang.  (2023)  A facile strategy to develop highly stable antifouling NF membranes with chlorine resistance based on polyamide-sulfonamide active layer.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110146]

2. Xinran Wang, Xufeng Zang, Hong Zhou, Na Wang, Yishan Fang, Bo Cui.  (2024)  Fe, Cu dual-atom catalysts assisted molecularly imprinted electrochemiluminescence sensor for ultrasensitive detection of trichlorfon.  FOOD CHEMISTRY,      [PMID:39298852] [10.1016/j.foodchem.2024.141294]

3. Minghe Li, Shuyu Zhang, Lu Zhang, Hong Zhong, Chenyu Wang, Chen Wang, Ruirui Feng, Yanni Sun, Yun Ai, Ning Zhang.  (2026)  A Novel Fluorescent Probe for the Determination of Aluminum Ions in Aqueous Samples.  Applied Sciences-Basel,  16  (6):   [PMID:] [10.3390/app16062970]