1U1
Summary
| Name: | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid |
| Formula: | C5 H4 Cl N O4 S2 |
| Formal charge: | 0 |
| Formula weight: | 241.673 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 5-chloro-3-sulfamoylthiophene-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 5-chloranyl-3-sulfamoyl-thiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c1c(sc(Cl)c1)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C5H4ClNO4S2/c6-3-1-2(13(7,10)11)4(12-3)5(8)9/h1H,(H,8,9)(H2,7,10,11) |
| InChIKey | InChI | 1.03 | DLCJPZJBDWBNQJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1cc(Cl)sc1C(O)=O |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1cc(Cl)sc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1c(c(sc1Cl)C(=O)O)S(=O)(=O)N |
