| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:45:09 UTC |
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| Update Date | 2025-03-21 18:00:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00027030 |
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| Frequency | 140.9 |
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| Structure | |
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| Chemical Formula | C7H7ClN2O2S |
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| Molecular Mass | 217.9917 |
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| SMILES | O=S1(=O)NCNc2ccc(Cl)cc21 |
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| InChI Key | UDFVPYLRSLZQGZ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiadiazines |
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| Subclass | benzothiadiazines |
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| Direct Parent | 1,2,4-benzothiadiazine-1,1-dioxides |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl chloridesazacyclic compoundsbenzenoidshydrocarbon derivativesorganic oxidesorganochloridesorganopnictogen compoundsorganosulfonamidessecondary alkylarylamines |
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| Substituents | aryl chlorideorganosulfonic acid or derivativesazacycleorganochloridesecondary amineorganohalogen compoundsecondary aliphatic/aromatic aminearyl halideorganosulfonic acid amideorganic oxideorganic oxygen compoundaromatic heteropolycyclic compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compound1,2,4-benzothiadiazine-1,1-dioxidehydrocarbon derivativebenzenoidorganic nitrogen compoundamine |
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