Sulfamethoxazole sodium - BioReagent , CAS No.4563-84-2

CAS: 4563-84-2 Cat. No.: S303755 Molecular Weight: 275.26 EC Number: 224-939-2 PubChem CID: 15899900

GRADE & PURITY BioReagent

Synonyms

PJ0X8H59AI | CCG-267199 | EINECS 224-939-2 | HY-B0322A | MFCD23115453 | Sodium sulfamethoxazole | UNII-PJ0X8H59AI | s4869 | Sulfisomezole sodium | DTXSID301339615 | FT-0687708 | Sulfamethoxazole sodium [JAN] | Sodium ((4-aminophenyl)sulfonyl)(5-methylisox

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

PJ0X8H59AI | CCG-267199 | EINECS 224-939-2 | HY-B0322A | MFCD23115453 | Sodium sulfamethoxazole | UNII-PJ0X8H59AI | s4869 | Sulfisomezole sodium | DTXSID301339615 | FT-0687708 | Sulfamethoxazole sodium [JAN] | Sodium ((4-aminophenyl)sulfonyl)(5-methylisox

Specifications & Purity

BioReagent

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

BioReagent

Names and Identifiers

• Pubchem Sid: 504767972
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767972
• Canonical Smiles: CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]
• IUPAC Name: sodium;(4-aminophenyl)sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide
• InChIKey: LARLNXOUTTUXPN-UHFFFAOYSA-N
• INCHI: 1S/C10H10N3O3S.Na/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9;/h2-6H,11H2,1H3;/q-1;+1
• Isomeric SMILES: CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Na+]
• PubChem CID: 15899900
• Molecular Weight: 275.26

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: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Aniline and substituted anilines Sulfonyls Organosulfonic acids and derivatives Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organooxygen compounds Organic zwitterions Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Aniline or substituted anilines - Azole - Isoxazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Amine - Organic zwitterion - Organic salt - Organic sodium salt - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Solubility: insoluble in EtOH; ≥30.8 mg/mL in DMSO; ≥39.2 mg/mL in H2O
• Molecular Weight: 275.260 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 275.034 Da
• Monoisotopic Mass: 275.034 Da
• Topological Polar Surface Area: 95.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 352.000
• 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: 2

XLogP3

References

1. Zhenyu Shi, Wei Zhang, Chao Qin, Yan Yan, Zhanqi Gao, Liang Zhu, Chunmei Tang, Can Jin, Shaogui Yang.  (2023)  Fe confined in Prophyrin-based porous organic polymer as an efficient periodate activator for nonradical pathway removal of contaminants.  SEPARATION AND PURIFICATION TECHNOLOGY,      [PMID:] [10.1016/j.seppur.2023.123868]

2. Yibing Sun, Hongchao Li, Shengli Zhang, Ming Hua, Jieshu Qian, Bingcai Pan.  (2022)  Revisiting the Heterogeneous Peroxymonosulfate Activation by MoS2: a Surface Mo–Peroxymonosulfate Complex as the Major Reactive Species.  ACS ES&T Water,      [PMID:] [10.1021/acsestwater.1c00459]

3. Lihui Zhao, Can Jin, He Liu, Zhaozhe Yang, Yupeng Liu.  (2026)  Natural bamboo-derived porous carbon activates PMS for BPA degradation: A singlet oxygen-dominated nonradical pathway.  Journal of Environmental Sciences,      [PMID:] [10.1016/j.jes.2026.01.022]

4. Xixi Di, Xia Zeng, Shujun Meng, Tian Tang, Wei Wang, Hanghang Zhao, Xiaohui Ji, Lingxia Jin, Chao Duan, Xianzhao Shao.  (2026)  Antibiotic degradation via synergistic oxidation: Zero - valent iron enhanced carbon - based catalyst activating peroxymonosulfate.  Journal of Environmental Chemical Engineering,  14  (2): (121737).  [PMID:] [10.1016/j.jece.2026.121737]