QTJ
Summary
| Name: | 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
| Formula: | C12 H9 Cl F N O3 S |
| Formal charge: | 0 |
| Formula weight: | 301.721 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide |
| OpenEye OEToolkits | 2.0.7 | 4-(3-chloranyl-4-fluoranyl-phenoxy)benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NS(c1ccc(cc1)Oc2cc(c(cc2)F)Cl)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H9ClFNO3S/c13-11-7-9(3-6-12(11)14)18-8-1-4-10(5-2-8)19(15,16)17/h1-7H,(H2,15,16,17) |
| InChIKey | InChI | 1.03 | XBWNRHYUEDLQBP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1Oc2ccc(c(c2)Cl)F)S(=O)(=O)N |
