QB6
3-azanyl-4-oxidanyl-benzenesulfonamide
| Created: | 2022-10-17 |
| Last modified: | 2023-03-08 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 20 |
| Chiral Atom Count | 0 |
| Bond Count | 20 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 3-azanyl-4-oxidanyl-benzenesulfonamide |
| Systematic Name (OpenEye OEToolkits) | 3-azanyl-4-oxidanyl-benzenesulfonamide |
| Formula | C6 H8 N2 O3 S |
| Molecular Weight | 188.204 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
|---|---|---|---|
| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | Nc1cc(ccc1O)[S](N)(=O)=O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1S(=O)(=O)N)N)O |
| Canonical SMILES | CACTVS | 3.385 | Nc1cc(ccc1O)[S](N)(=O)=O |
| Canonical SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1S(=O)(=O)N)N)O |
| InChI | InChI | 1.06 | InChI=1S/C6H8N2O3S/c7-5-3-4(12(8,10)11)1-2-6(5)9/h1-3,9H,7H2,(H2,8,10,11) |
| InChIKey | InChI | 1.06 | AVQFHKYAVVQYQO-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL4289589 |
| PubChem | 66814 |
| ChEMBL | CHEMBL4289589 |
| CCDC/CSD | NIGNEY |
