Toluene-4-sulphonanilide (CED0081742)

Record Information
Version1.0
Creation Date2026-04-04 18:34:44 UTC
Update Date2026-08-18 23:32:53 UTC
Accession NumberCHEM077835
Identification
Common NameToluene-4-sulphonanilide
ClassSmall Molecule
Description
Toluene-4-sulphonanilide is an organic compound with the formula C13H13NO2S and an average molecular weight of 247.31 g/mol. Toluene-4-sulphonanilide belongs to the toluenes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid substance has been identified in or released from two recorded sources: food preservation within food, food processing and cookware, and amplifiers within electrical and electronic equipment.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H13NO2S
Average Molecular Mass247.310 g/mol
Monoisotopic Mass247.067 g/mol
CAS Registry Number68-34-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1
InChI IdentifierInChI=1/C13H13NO2S/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12/h2-10,14H,1H3
InChI KeyVLVCWODDMDGANW-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
2677.0Log mg/kg[1500:4800]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
10InsecticidesAgriculture & land managementNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
545Food PreservationFood, food processing & cookwareNot Available
600Herbicides And AlgicidesAgriculture & land managementNot Available
605Pest RepellantsAgriculture & land managementNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
627Roulette GamesRecreation & sports surfacesNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)1.16774
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)2.25763
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)2.25763
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)3.73676
Click to view 3D structureIntestinal-type alkaline phosphataseP19111BovinePredicted (SEA)0.700643
Cytochrome b-c1 complex subunit 7 structureClick to view 3D structureCytochrome b-c1 complex subunit 7P14927HumansPredicted (SEA)0.155698
Click to view 3D structureAlkaline phosphatase, tissue-nonspecific isozymeP09487Bos taurusPredicted (SEA)0.544945
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)20.4743
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)120.433
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)16.1926
LIM domain kinase 1 structureClick to view 3D structureLIM domain kinase 1P53667HumansPredicted (SEA)86.3348
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)6.85073
Click to view 3D structureCarbonic anhydrase 2P00921Bos taurusPredicted (SEA)6.38364
Type-1 angiotensin II receptor structureClick to view 3D structureType-1 angiotensin II receptorP30556HumansPredicted (SEA)57.7641
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)21.4864
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)111.947
Plectin structureClick to view 3D structurePlectinQ15149HumansPredicted (SEA)0.311397
Mucolipin-3 structureClick to view 3D structureMucolipin-3Q8TDD5HumansPredicted (SEA)0.389246
Click to view 3D structureProbable G-protein coupled receptor 27Q9NS67HumansPredicted (SEA)4.28171
Click to view 3D structureDelta carbonic anhydraseQ5U9J1Conticribra weissflogiiPredicted (SEA)8.64126
Peregrin structureClick to view 3D structurePeregrinP55201HumansPredicted (SEA)5.3716
LIM domain kinase 2 structureClick to view 3D structureLIM domain kinase 2P53671HumansPredicted (SEA)37.2119
Click to view 3D structureBeta-ketoacyl-ACP-synthase IIIO77078Plasmodium falciparumPredicted (SEA)0.622794
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)397.965
Bromodomain-containing protein 1 structureClick to view 3D structureBromodomain-containing protein 1O95696HumansPredicted (SEA)3.58106
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available