Dataset
![molecular Image]()
p-Toluenesulfonamide
Chemical Info
| InChI | InChI=1S/C7H9NO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H2,8,9,10) |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(N)(=O)=O |
| InChI Key | LMYRWZFENFIFIT-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2S |
| Exact Mass | 171.035 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF418501 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T21:51:57.326680 |
| MetadataModified | 2025-02-09T19:48:03.243226 |
| MetadataPublished | 2017-01-05 |
| Related Molecule |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 6269 | PubChem |
| PD062346 | ProbesDrugs |
| DB17299 | DrugBank |
| 15171184 | PubChem: Thomson Pharma |
| 70-55-3 | ACToR |
| SCHEMBL7370 | SureChEMBL |
| I8266RI90M | FDA SRS |
| 478033 | eMolecules |
| MCULE-6491310410 | Mcule |
| 56635390 | PubChem |
| CB7330843 | ChemicalBook |
| 75656 | Brenda |
| 3748 | Brenda |
| 118460 | Brenda |
| CHEMBL574 | ChEMBL |
| 34435 | ChEBI |
| C14412 | KEGG Ligand |
| KUSVEZ | CCDC |
| HMDB0246504 | Human Metabolome Database |
| J4.878J | Nikkaji |
| ZINC000000388056 | ZINC |
| DTXSID8029105 | EPA CompTox Dashboard |
| 4J8 | PDBe |
| 96979 | Brenda |
| 10859 | BindingDB |
| 226997 | Brenda |
| The data in this table is sourced from UniChem at EBI. | |