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N-Acetyl Sulfamethoxazole - analytical standard, high purity , CAS No.21312-10-7
Basic Description
Synonyms
21312-10-7 | Acetylsulfamethoxazole | N4-Acetylsulfamethoxazole | N-(4-(N-(5-Methylisoxazol-3-yl)sulfamoyl)phenyl)acetamide | N-Acetyl sulfamethoxazole | SMX-acetate | 4-Acetylamino-N-(5-methyl-3-isoxazolyl)benzenesulfonamide | sulfamethoxazole acetate | N-acetylsulfamet
Specifications & Purity
analytical standard
Storage Temp
Argon charged
Shipped In
Normal
Grade
analytical standard
Product Description
N-Acetyl Sulfamethoxazole is a sulfamethoxazole metabolite.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzenesulfonamides
Intermediate Tree Nodes
Not available
Direct Parent
Benzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds Organosulfonamides Imidolactams Isoxazoles Heteroaromatic compounds Aminosulfonyl compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonamide - Benzenesulfonyl group - Organosulfonic acid amide - Imidolactam - Azole - Isoxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Aminosulfonyl compound - Carboximidic acid - Carboximidic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organosulfur compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organonitrogen 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
sulfonamide - isoxazoles
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
INCHI
InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKey
GXPIUNZCALHVBA-UHFFFAOYSA-N
Smiles
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
Isomeric SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
Molecular Weight
295.314
Reaxy-Rn
285801
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=285801&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in methanol. Insoluble in water.
Molecular Weight
295.320 g/mol
XLogP3
0.700
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
4
Exact Mass
295.063 Da
Monoisotopic Mass
295.063 Da
Topological Polar Surface Area
110.000 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
440.000
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
Citations of This Product
1.
Yufang Chen, Zhenhua Yan, Yan Zhang, Peiyuan Zhu, Runren Jiang, Min Wang, Yonghua Wang, Guanghua Lu.
(2024)
Co-exposure of microplastics and sulfamethoxazole propagated antibiotic resistance genes in sediments by regulating the microbial carbon metabolism. JOURNAL OF HAZARDOUS MATERIALS,
463
(132951).
2.
Tong He, Peng Lei Cui, Shuai Zhang, Yu Hang Fan, Qiu Shi Jin, Jian Ping Wang.
(2023)
Development of a receptor based signal amplified fluorescence polarization assay for multi-detection of 35 sulfonamides in pork. Food Chemistry-X,
19
(100867).
3.
Su Han Wang, Jian Ping Wang, Ning Peng Wu.
(2022)
Determination of 35 sulfonamides in pork by magnetic molecularly imprinted polymer-based dispersive solid-phase extraction and ultra-performance liquid chromatography photodiode array method. JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,
103
(4):
(1954-1963).
4.
Tong He, Jing Liu, Jian Ping Wang.
(2022)
Evolution of a natural dihydropteroate synthase and development of a signal amplified fluorescence method for detection of 44 sulfonamides in milk. ANALYTICA CHIMICA ACTA,
1234
(340481).
5.
Tong He, Peng Lei Cui, Jing Liu, Cheng Feng, Jian Ping Wang.
(2022)
Production of a Natural Dihydropteroate Synthase and Development of a Signal-Amplified Pseudo-Immunoassay for the Determination of Sulfonamides in Pork. JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY,
70
(9):
(3023–3032).
6.
Yuan Zhang, Félix Manuel Rosado-García, Yamila Puig Peña, Panagiotis Karanis, Xin Yu, Mingbao Feng, Chengsong Ye.
(2025)
Sulfonamide metabolites enhance resistance transmission via conjugative transfer pathways. JOURNAL OF HAZARDOUS MATERIALS,
491
(137932).
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6 Citations
G2319060