2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CED0053163)

Record Information

Version

1.0

Creation Date

2026-08-18 04:26:33 UTC

Update Date

2026-08-18 04:26:33 UTC

SynCED ID

CED0053163

Secondary Accession Numbers

CHEM150900

Identification

Common Name

2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Class

Small Molecule

Description

2,4,5-trichloro-n-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide belongs to the benzenesulfonamides, a subclass of benzene and substituted derivatives within the organic compounds. It is a benzenoid with the formula C10H7Cl3N2O3S and an average molecular weight of 341.60 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₇Cl₃N₂O₃S

Average Molecular Mass

341.600 g/mol

Monoisotopic Mass

339.924 g/mol

CAS Registry Number

899218-89-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C10H7Cl3N2O3S/c1-5-2-10(14-18-5)15-19(16,17)9-4-7(12)6(11)3-8(9)13/h2-4H,1H3,(H,14,15)

InChI Key

HFFXLYHRNRKAPM-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-052e-9213000000-d2a46d40a4a1b291ba53	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-0009000000-08f40648321ba2d9bb2b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0006-6129000000-7762936d2557f71ab334	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00l6-9281000000-063fcac18731e6f9db52	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0009000000-54edddb600c8b0497fea	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-000i-0019000000-e28a2177351b27f1073b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-9231000000-01c77014c03386ef0311	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1441.0 Log mg/kg [810:2600]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference
allergic disease	Associated With?	Not Available	Allergic diseases, also known as allergies, are a number of conditions caused by hypersensitivity of the immune system to typically harmless substances in the environment. These diseases include hay fever, food allergies, atopic dermatitis, allergic asthma, and anaphylaxis. Symptoms may include red eyes, an itchy rash, sneezing, a runny nose, shortness of breath, or swelling. Common allergens include pollen and certain foods. Metals and other substances may also cause allergies. Food, insect stings, and medications are common causes of severe allergic reactions. Allergies can be due to both genetic and environmental factors. The underlying mechanism involves immunoglobulin E antibodies (IgE) binding to an allergen and then to a receptor on mast cells or basophils where it triggers the release of inflammatory chemicals such as histamine. Allergies are among the most common conditions in the world. In the developed world, about 20% of people are affected by allergic rhinitis, about 6% of people have at least one food allergy, and about 20% have atopic dermatitis at some point in time.	PMC6485869

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	PubChem
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000603	Nematocides?Nematocides are synthetic chemicals specifically designed to control nematodes, which are microscopic roundworms that can cause significant damage to crops and plants.	Agriculture & land management	PubChem
CEDs000642	Footwear?Footwear production often involves the use of various synthetic chemicals, such as adhesives, dyes, and treatments, which can contribute to environmental contamination.	Textiles, leather & furnishings	PubChem
CEDs000658	Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.	Textiles, leather & furnishings	PubChem
CEDs000671	Airplanes And Helicopters?Airplanes and helicopters are significant sources of synthetic chemical contamination primarily through the use of aviation fuels, lubricants, and de-icing agents.	Aviation & Aerospace	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000716	Erasers?Erasers, commonly used in writing and drawing applications, are often made from synthetic rubber or thermoplastic materials, which can contain various additives such as plasticizers, fillers, and colorants.	Paper, pulp & fiber products	PubChem
CEDs000724	Pencil Sharpener?A pencil sharpener, commonly used in various settings for maintaining the sharpness of pencils, can be a source of synthetic chemical contamination primarily through the materials from which it is constructed.	Paper, pulp & fiber products	PubChem
CEDs000738	Cooling Circuit Water?Cooling circuit water is utilized in various industrial processes to absorb and dissipate heat generated during operations.	Industrial manufacturing & chemical processing	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Malate dehydrogenase, cytoplasmic	P40925	Humans	Known	Not Available
Click to view 3D structure	ATP-dependent 6-phosphofructokinase	Q4E657	Trypanosoma cruzi	Predicted (SEA)	Prediction Confidence Score 0.429 Applicability Domain 0.473 Statistical Significance 4.00e-05 Supporting Reference Compounds 2 E-value 0.311397
Click to view 3D structure	Sodium channel protein type 8 subunit alpha	Q9UQD0	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.288 Low confidence Statistical Significance 0.0221 Supporting Reference Compounds 65 E-value 171.891
Click to view 3D structure	Endothelin-1 receptor	P26684	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.524 Statistical Significance 0.0098 Supporting Reference Compounds 24 E-value 76.6036
Click to view 3D structure	Sodium channel protein type 1 subunit alpha	P35498	Humans	Predicted (SEA)	Prediction Confidence Score 0.265 Applicability Domain 0.288 Low confidence Statistical Significance 0.0162 Supporting Reference Compounds 44 E-value 125.882
Click to view 3D structure	Protein lin-28 homolog A	Q8K3Y3	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.264 Low confidence Statistical Significance 0.0037 Supporting Reference Compounds 1 E-value 28.7264
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.288 Low confidence Statistical Significance 0.3688 Supporting Reference Compounds 1245 E-value 2871.47
Click to view 3D structure	Sodium channel protein type 5 subunit alpha	Q14524	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.288 Low confidence Statistical Significance 0.0363 Supporting Reference Compounds 139 E-value 282.437
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.349 Statistical Significance 0.086 Supporting Reference Compounds 425 E-value 669.425
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.288 Low confidence Statistical Significance 0.3491 Supporting Reference Compounds 1660 E-value 2717.4
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.288 Low confidence Statistical Significance 0.3774 Supporting Reference Compounds 1301 E-value 2937.95
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.284 Low confidence Statistical Significance 0.5261 Supporting Reference Compounds 1538 E-value 4095.96
Click to view 3D structure	Nuclear receptor subfamily 1 group I member 2	O75469	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.288 Low confidence Statistical Significance 0.0247 Supporting Reference Compounds 146 E-value 192.054
Click to view 3D structure	Sodium channel protein type 9 subunit alpha	Q15858	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.284 Low confidence Statistical Significance 0.0484 Supporting Reference Compounds 125 E-value 377.024
Click to view 3D structure	C-C chemokine receptor type 4	Q8MJW8	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 22.187
Click to view 3D structure	Endothelin-1 receptor	P25101	Humans	Predicted (SEA)	Prediction Confidence Score 0.248 Applicability Domain 0.302 Statistical Significance 0.0303 Supporting Reference Compounds 51 E-value 235.961
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.275 Low confidence Statistical Significance 0.4857 Supporting Reference Compounds 1274 E-value 3781.37
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.275 Low confidence Statistical Significance 0.4684 Supporting Reference Compounds 1022 E-value 3646.15
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.275 Low confidence Statistical Significance 0.4585 Supporting Reference Compounds 1017 E-value 3569.54
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.261 Low confidence Statistical Significance 0.1904 Supporting Reference Compounds 372 E-value 1482.48
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.261 Low confidence Statistical Significance 0.2345 Supporting Reference Compounds 472 E-value 1825.56
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.261 Low confidence Statistical Significance 0.1726 Supporting Reference Compounds 332 E-value 1343.99
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.261 Low confidence Statistical Significance 0.1972 Supporting Reference Compounds 407 E-value 1535.5
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.261 Low confidence Statistical Significance 0.1285 Supporting Reference Compounds 242 E-value 1000.52
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.261 Low confidence Statistical Significance 0.0673 Supporting Reference Compounds 151 E-value 523.692
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.261 Low confidence Statistical Significance 0.0964 Supporting Reference Compounds 172 E-value 750.466