N-Acetyl Sulfadiazine - ≥93% , CAS No.127-74-2

CAS: 127-74-2 Cat. No.: N354925 Molecular Weight: 292.31 EC Number: 204-862-0

GRADE & PURITY ≥93%

Synonyms

AKOS000673412 | 4-acetylamino-N-pyrimidin-2-yl-benzenesulfonamide | N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]acetamide (Acetylsulfadiazine) | HMS2438G16 | CBMicro_049018 | N~1~-{4-[(2-PYRIMIDINYLAMINO)SULFONYL]PHENYL}ACETAMIDE | N-Acetyl Sulfadiazine | EINECS

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

N-Acetyl Sulfadiazine is a major metabolite of Sulfadiazine.

Specifications

Synonyms

AKOS000673412 | 4-acetylamino-N-pyrimidin-2-yl-benzenesulfonamide | N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]acetamide (Acetylsulfadiazine) | HMS2438G16 | CBMicro_049018 | N~1~-{4-[(2-PYRIMIDINYLAMINO)SULFONYL]PHENYL}ACETAMIDE | N-Acetyl Sulfadiazine | EINECS

Specifications & Purity

≥93%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥93%

Names and Identifiers

• Pubchem Sid: 504753934
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753934
• Canonical Smiles: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2
• IUPAC Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
• InChIKey: NJIZUWGMNCUKGU-UHFFFAOYSA-N
• INCHI: 1S/C12H12N4O3S/c1-9(17)15-10-3-5-11(6-4-10)20(18,19)16-12-13-7-2-8-14-12/h2-8H,1H3,(H,15,17)(H,13,14,16)
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2
• Molecular Weight: 292.31
• Reaxy-Rn: 286028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=286028&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: Benzenesulfonamides
• Alternative Parents: Acetanilides N-acetylarylamines Benzenesulfonyl compounds Pyrimidines and pyrimidine derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Acetamides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Acetanilide - Benzenesulfonamide - N-acetylarylamine - Benzenesulfonyl group - Anilide - N-arylamide - Pyrimidine - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Acetamide - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - 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 - pyrimidines - acetamides

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)

HEK293 (82097 Activities)

Explore this target

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

Associated Targets(non-human)

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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 DMSO and Methanol
• Boil Point(°C): ~558.4° C at 760 mmHg (Predicted)
• Melt Point(°C): 260-262° C
• Molecular Weight: 292.320 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 292.063 Da
• Monoisotopic Mass: 292.063 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 420.000
• 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. 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,      [PMID:40117768] [10.1016/j.jhazmat.2025.137932]