2-chloro-4-methylsulfonylpyridine (CED0197288)

Record Information
Version1.0
Creation Date2026-08-23 12:27:07 UTC
Update Date2026-08-23 12:27:07 UTC
SynCED IDCED0197288
Secondary Accession Numbers
  • CHEM232872
Identification
Common Name2-chloro-4-methylsulfonylpyridine
ClassSmall Molecule
Description
2-chloro-4-methylsulfonylpyridine belongs to the halopyridines, a subclass of pyridines and derivatives within the organic compounds. This organoheterocyclic compound has the formula C6H6ClNO2S and an average molecular weight of 191.64 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H6ClNO2S
Average Molecular Mass191.640 g/mol
Monoisotopic Mass190.981 g/mol
CAS Registry Number99903-03-4
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H6ClNO2S/c1-11(9,10)5-2-3-8-6(7)4-5/h2-4H,1H3
InChI KeyUSPURJZIFMFHCR-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
544.0 Log mg/kg [310:970]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000010Insecticides?Insecticides are synthetic chemicals designed to control or eliminate insect pests that threaten crops and other agricultural products.Agriculture & land managementNot Available
CEDs000605Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.Agriculture & land managementNot Available
CEDs000716Erasers?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 productsNot Available
CEDs000717Fountain Pens?Fountain pens utilize a liquid ink that often contains synthetic chemicals, including dyes, pigments, and solvents, which can contribute to environmental contamination.Paper, pulp & fiber productsNot Available
CEDs000720Ink Reservoir Pens2?Ink reservoir pens are writing instruments that utilize a reservoir to store ink, which is often composed of synthetic dyes, solvents, and additives.Paper, pulp & fiber productsNot Available
CEDs000726Pens?Pens, commonly utilized for writing and marking, can be a source of synthetic chemical contamination primarily due to the materials used in their manufacturing.Paper, pulp & fiber productsNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)
Prediction Confidence Score
0.31
Applicability Domain
0.348
Statistical Significance
0.0692
Supporting Reference Compounds
668
E-value
538.794
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.287
Applicability Domain
0.348
Statistical Significance
0.0243
Supporting Reference Compounds
201
E-value
189.251
Lysyl oxidase homolog 2 structureClick to view 3D structureLysyl oxidase homolog 2Q9Y4K0HumansPredicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.394
Statistical Significance
0.001
Supporting Reference Compounds
26
E-value
7.86277
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)
Prediction Confidence Score
0.285
Applicability Domain
0.318
Statistical Significance
0.1812
Supporting Reference Compounds
1157
E-value
1410.78
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.277
Applicability Domain
0.318
Statistical Significance
0.2037
Supporting Reference Compounds
1022
E-value
1586.1
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.347
Statistical Significance
0.2643
Supporting Reference Compounds
1660
E-value
2057.71
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.292 Low confidence
Statistical Significance
0.3139
Supporting Reference Compounds
1498
E-value
2443.53
G1/S-specific cyclin-D3 structureClick to view 3D structureG1/S-specific cyclin-D3P30281HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.273 Low confidence
Statistical Significance
0.0016
Supporting Reference Compounds
1
E-value
12.8451
Mitogen-activated protein kinase kinase kinase kinase 4 structureClick to view 3D structureMitogen-activated protein kinase kinase kinase kinase 4O95819HumansPredicted (SEA)
Prediction Confidence Score
0.273
Applicability Domain
0.298 Low confidence
Statistical Significance
0.1796
Supporting Reference Compounds
714
E-value
1397.94
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.271
Applicability Domain
0.298 Low confidence
Statistical Significance
0.218
Supporting Reference Compounds
1029
E-value
1697.35
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0307
Supporting Reference Compounds
226
E-value
239.075
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.298 Low confidence
Statistical Significance
0.0307
Supporting Reference Compounds
227
E-value
239.075
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.318
Statistical Significance
0.208
Supporting Reference Compounds
834
E-value
1618.95
Toll-like receptor 9 structureClick to view 3D structureToll-like receptor 9Q9NR96HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0112
Supporting Reference Compounds
111
E-value
87.5804
Click to view 3D structureProstaglandin G/H synthase 2P79208Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.348
Statistical Significance
0.0066
Supporting Reference Compounds
50
E-value
51.2248
Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial structureClick to view 3D structureSuccinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrialP21912HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.295 Low confidence
Statistical Significance
5.60e-04
Supporting Reference Compounds
3
E-value
4.35956
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0138
Supporting Reference Compounds
117
E-value
107.743
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.318
Statistical Significance
0.2381
Supporting Reference Compounds
961
E-value
1853.9
Receptor-interacting serine/threonine-protein kinase 2 structureClick to view 3D structureReceptor-interacting serine/threonine-protein kinase 2O43353HumansPredicted (SEA)
Prediction Confidence Score
0.268
Applicability Domain
0.347
Statistical Significance
0.067
Supporting Reference Compounds
202
E-value
521.434
Inhibitor of nuclear factor kappa-B kinase subunit alpha structureClick to view 3D structureInhibitor of nuclear factor kappa-B kinase subunit alphaO15111HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.318
Statistical Significance
0.096
Supporting Reference Compounds
309
E-value
747.197
cAMP-dependent protein kinase catalytic subunit alpha structureClick to view 3D structurecAMP-dependent protein kinase catalytic subunit alphaP17612HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.298 Low confidence
Statistical Significance
0.2048
Supporting Reference Compounds
735
E-value
1594.2
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.295 Low confidence
Statistical Significance
0.0514
Supporting Reference Compounds
296
E-value
400.145
Tyrosine-protein kinase SYK structureClick to view 3D structureTyrosine-protein kinase SYKP43405HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.318
Statistical Significance
0.195
Supporting Reference Compounds
625
E-value
1517.83
Rho-associated protein kinase 2 structureClick to view 3D structureRho-associated protein kinase 2O75116HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.298 Low confidence
Statistical Significance
0.2354
Supporting Reference Compounds
811
E-value
1832.65
Inhibitor of nuclear factor kappa-B kinase subunit beta structureClick to view 3D structureInhibitor of nuclear factor kappa-B kinase subunit betaO14920HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.318
Statistical Significance
0.1296
Supporting Reference Compounds
389
E-value
1009.24
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available