PK4
Summary
| Name: | 2-fluoro-N,3-dimethylbenzene-1-sulfonamide |
| Formula: | C8 H10 F N O2 S |
| Formal charge: | 0 |
| Formula weight: | 203.234 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-fluoro-N,3-dimethylbenzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.6 | 2-fluoranyl-~{N},3-dimethyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CNS(c1c(c(C)ccc1)F)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H10FNO2S/c1-6-4-3-5-7(8(6)9)13(11,12)10-2/h3-5,10H,1-2H3 |
| InChIKey | InChI | 1.03 | PXJRMCHXJXWNJG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN[S](=O)(=O)c1cccc(C)c1F |
| SMILES | CACTVS | 3.385 | CN[S](=O)(=O)c1cccc(C)c1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1F)S(=O)(=O)NC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1cccc(c1F)S(=O)(=O)NC |
