W36
Summary
| Name: | 2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide |
| Formula: | C9 H13 F N2 O2 S |
| Formal charge: | 0 |
| Formula weight: | 232.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-amino-N-(3-fluoro-4-methylphenyl)ethane-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 2-azanyl-~{N}-(3-fluoranyl-4-methyl-phenyl)ethanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Nc1ccc(C)c(F)c1)CCN |
| InChI | InChI | 1.06 | InChI=1S/C9H13FN2O2S/c1-7-2-3-8(6-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5,11H2,1H3 |
| InChIKey | InChI | 1.06 | OCSCDNBRMDMHFR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)CCN)cc1F |
| SMILES | CACTVS | 3.385 | Cc1ccc(N[S](=O)(=O)CCN)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1F)NS(=O)(=O)CCN |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1F)NS(=O)(=O)CCN |
