EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H18ClFN2O3S |
| Net Charge | 0 |
| Average Mass | 420.893 |
| Monoisotopic Mass | 420.07107 |
| SMILES | NS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1 |
| InChI | InChI=1S/C20H18ClFN2O3S/c21-16-3-10-20(27-13-14-1-4-17(22)5-2-14)15(11-16)12-24-18-6-8-19(9-7-18)28(23,25)26/h1-11,24H,12-13H2,(H2,23,25,26) |
| InChIKey | XBTZIZHOWTUCKT-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[[5-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methylamino]benzenesulfonamide (CHEBI:122202) is a aromatic amine (CHEBI:33860) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33645 | LINCS |