DFS
Summary
| Name: | 2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide |
| Formula: | C16 H15 F2 N5 O3 S |
| Formal charge: | 0 |
| Formula weight: | 395.384 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2,6-difluoro-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-[(propylsulfonyl)amino]benzamide |
| OpenEye OEToolkits | 1.7.6 | 2,6-bis(fluoranyl)-N-(1H-imidazo[4,5-b]pyridin-6-yl)-3-(propylsulfonylamino)benzamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccc(F)c(c1F)C(=O)Nc2cc3c(nc2)ncn3)CCC |
| InChI | InChI | 1.03 | InChI=1S/C16H15F2N5O3S/c1-2-5-27(25,26)23-11-4-3-10(17)13(14(11)18)16(24)22-9-6-12-15(19-7-9)21-8-20-12/h3-4,6-8,23H,2,5H2,1H3,(H,22,24)(H,19,20,21) |
| InChIKey | InChI | 1.03 | CWDHWLRBSAIDBH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC[S](=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc[nH]c3c2)c1F |
| SMILES | CACTVS | 3.385 | CCC[S](=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3nc[nH]c3c2)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c(nc2)nc[nH]3)F |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCS(=O)(=O)Nc1ccc(c(c1F)C(=O)Nc2cc3c(nc2)nc[nH]3)F |
