Z2F
1,3-benzothiazole-6-sulfonamide
Created: | 2023-06-22 |
Last modified: | 2023-07-12 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 19 |
Chiral Atom Count | 0 |
Bond Count | 20 |
Aromatic Bond Count | 10 |
Chemical Component Summary | |
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Name | 1,3-benzothiazole-6-sulfonamide |
Systematic Name (OpenEye OEToolkits) | 1,3-benzothiazole-6-sulfonamide |
Formula | C7 H6 N2 O2 S2 |
Molecular Weight | 214.265 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | NS(=O)(=O)c1ccc2ncsc2c1 |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2ncsc2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1S(=O)(=O)N)scn2 |
Canonical SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc2ncsc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1S(=O)(=O)N)scn2 |
InChI | InChI | 1.06 | InChI=1S/C7H6N2O2S2/c8-13(10,11)5-1-2-6-7(3-5)12-4-9-6/h1-4H,(H2,8,10,11) |
InChIKey | InChI | 1.06 | KRRLILAOGRCMFH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 45076991 |