HRS
Summary
| Name: | 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide |
| Formula: | C10 H7 Br N2 O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 363.208 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-bromo-N-(4-nitrophenyl)thiophene-2-sulfonamide |
| OpenEye OEToolkits | 2.0.6 | 5-bromanyl-~{N}-(4-nitrophenyl)thiophene-2-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(sc(cc1)Br)S(Nc2ccc(cc2)N(=O)=O)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H7BrN2O4S2/c11-9-5-6-10(18-9)19(16,17)12-7-1-3-8(4-2-7)13(14)15/h1-6,12H |
| InChIKey | InChI | 1.03 | XAKPASIXPSBWRB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Brc1sc(cc1)[S](=O)(=O)Nc2ccc(cc2)[N](=O)=O |
| SMILES | CACTVS | 3.385 | Brc1sc(cc1)[S](=O)(=O)Nc2ccc(cc2)[N](=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(ccc1NS(=O)(=O)c2ccc(s2)Br)N(=O)=O |
