UR7
Summary
| Name: | 1-(3-fluoro-4-methylphenyl)methanesulfonamide |
| 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 | 1-(3-fluoro-4-methylphenyl)methanesulfonamide |
| OpenEye OEToolkits | 2.0.7 | (3-fluoranyl-4-methyl-phenyl)methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cc(F)c(C)cc1)CS(N)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C8H10FNO2S/c1-6-2-3-7(4-8(6)9)5-13(10,11)12/h2-4H,5H2,1H3,(H2,10,11,12) |
| InChIKey | InChI | 1.03 | BRGBJOARAPZJCN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C[S](N)(=O)=O)cc1F |
| SMILES | CACTVS | 3.385 | Cc1ccc(C[S](N)(=O)=O)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1F)CS(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1F)CS(=O)(=O)N |
