A1BDK
Summary
| Name: | 1-(4-fluorobenzene-1-sulfonyl)piperazine |
| Formula: | C10 H13 F N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 244.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(4-fluorobenzene-1-sulfonyl)piperazine |
| OpenEye OEToolkits | 3.1.0.0 | 1-(4-fluorophenyl)sulfonylpiperazine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(c1ccc(F)cc1)N1CCNCC1 |
| InChI | InChI | 1.06 | InChI=1S/C10H13FN2O2S/c11-9-1-3-10(4-2-9)16(14,15)13-7-5-12-6-8-13/h1-4,12H,5-8H2 |
| InChIKey | InChI | 1.06 | KKDHOKJGLSITHN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1)[S](=O)(=O)N2CCNCC2 |
| SMILES | CACTVS | 3.385 | Fc1ccc(cc1)[S](=O)(=O)N2CCNCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1F)S(=O)(=O)N2CCNCC2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1F)S(=O)(=O)N2CCNCC2 |
