1QV
Summary
| Name: | 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide |
| Formula: | C7 H2 F4 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 286.227 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4,5,6,7-tetrafluoro-1,3-benzothiazole-2-sulfonamide |
| OpenEye OEToolkits | 1.7.6 | 4,5,6,7-tetrakis(fluoranyl)-1,3-benzothiazole-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1nc2c(F)c(F)c(F)c(F)c2s1)N |
| InChI | InChI | 1.03 | InChI=1S/C7H2F4N2O2S2/c8-1-2(9)4(11)6-5(3(1)10)13-7(16-6)17(12,14)15/h(H2,12,14,15) |
| InChIKey | InChI | 1.03 | LKDBBZQZZJMNJW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1 |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1sc2c(F)c(F)c(F)c(F)c2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | c12c(c(c(c(c1sc(n2)S(=O)(=O)N)F)F)F)F |
