4G9
Summary
| Name: | 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide |
| Formula: | C10 H12 Cl2 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 311.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide |
| OpenEye OEToolkits | 1.9.2 | 2-chloranyl-N-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1c(cc(cc1)NC(=O)CCl)S(=O)(N(C)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15) |
| InChIKey | InChI | 1.03 | YEHYODCKTNLFQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl |
| SMILES | CACTVS | 3.385 | CN(C)[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN(C)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl |
