A1DN6
Summary
| Name: | N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide |
| Formula: | C6 H12 F3 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 247.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | N-(2,2,2-trifluoroethyl)piperazine-1-sulfonamide |
| OpenEye OEToolkits | 3.1.0.0 | ~{N}-[2,2,2-tris(fluoranyl)ethyl]piperazine-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(NCC(F)(F)F)N1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C6H12F3N3O2S/c7-6(8,9)5-11-15(13,14)12-3-1-10-2-4-12/h10-11H,1-5H2 |
| InChIKey | InChI | 1.06 | SQFFSJOCBCQCAA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | FC(F)(F)CN[S](=O)(=O)N1CCNCC1 |
| SMILES | CACTVS | 3.385 | FC(F)(F)CN[S](=O)(=O)N1CCNCC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C1CN(CCN1)S(=O)(=O)NCC(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C1CN(CCN1)S(=O)(=O)NCC(F)(F)F |
