MB1
Summary
| Name: | 2-chloro-5-nitrobenzenesulfonamide |
| Formula: | C6 H5 Cl N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 236.633 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-chloro-5-nitrobenzenesulfonamide |
| OpenEye OEToolkits | 1.5.0 | 2-chloro-5-nitro-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1cc(ccc1Cl)[N+]([O-])=O)N |
| SMILES_CANONICAL | CACTVS | 3.341 | N[S](=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O |
| SMILES | CACTVS | 3.341 | N[S](=O)(=O)c1cc(ccc1Cl)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C6H5ClN2O4S/c7-5-2-1-4(9(10)11)3-6(5)14(8,12)13/h1-3H,(H2,8,12,13) |
| InChIKey | InChI | 1.03 | ZAJALNCZCSSGJC-UHFFFAOYSA-N |
