A1JSI
Summary
| Name: | 4-[(3-fluorophenyl)sulfonylamino]benzoic acid |
| Formula: | C13 H10 F N O4 S |
| Formal charge: | 0 |
| Formula weight: | 295.286 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-[(3-fluorophenyl)sulfonylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H10FNO4S/c14-10-2-1-3-12(8-10)20(18,19)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17) |
| InChIKey | InChI | 1.06 | SQVQQBOZCMYFFQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(N[S](=O)(=O)c2cccc(F)c2)cc1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccc(N[S](=O)(=O)c2cccc(F)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)Nc2ccc(cc2)C(=O)O)F |
