SY4
Summary
| Name: | ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide |
| Formula: | C9 H12 F2 N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 250.266 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3 |
| InChIKey | InChI | 1.03 | KLZYLFPBFHWHBO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[S](=O)(=O)Nc1cc(N)c(F)cc1F |
| SMILES | CACTVS | 3.385 | CCC[S](=O)(=O)Nc1cc(N)c(F)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCCS(=O)(=O)Nc1cc(c(cc1F)F)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCCS(=O)(=O)Nc1cc(c(cc1F)F)N |
