SFQ
Summary
| Name: | 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid |
| Formula: | C13 H10 I N O4 S |
| Formal charge: | 0 |
| Formula weight: | 403.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid |
| OpenEye OEToolkits | 1.7.6 | 2-[(4-iodophenyl)sulfonylamino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Ic1ccc(cc1)S(=O)(=O)Nc2ccccc2C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H10INO4S/c14-9-5-7-10(8-6-9)20(18,19)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17) |
| InChIKey | InChI | 1.03 | PLJIQKJMJAHNRG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1N[S](=O)(=O)c2ccc(I)cc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1N[S](=O)(=O)c2ccc(I)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2ccc(cc2)I |
