| Record Information |
|---|
| HMDB Status | Not Available |
|---|
| Creation Date | 2024-02-20 23:44:24 UTC |
|---|
| Update Date | 2025-03-21 18:00:07 UTC |
|---|
| HMDB ID | Not Available |
|---|
| Metabolite Identification |
|---|
| DeepMet ID | DMID00025250 |
|---|
| Frequency | 153.0 |
|---|
| Structure | |
|---|
| Chemical Formula | C12H18ClNO2S |
|---|
| Molecular Mass | 275.0747 |
|---|
| SMILES | CCCN(CCC)S(=O)(=O)c1ccc(Cl)cc1 |
|---|
| InChI Key | XPESXKZXISTMIH-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| Kingdom | organic compounds |
|---|
| Superclass | benzenoids |
|---|
| Class | benzene and substituted derivatives |
|---|
| Subclass | benzenesulfonamides |
|---|
| Direct Parent | benzenesulfonamides |
|---|
| Geometric Descriptor | aromatic homomonocyclic compounds |
|---|
| Alternative Parents | aminosulfonyl compoundsaryl chloridesbenzenesulfonyl compoundschlorobenzeneshydrocarbon derivativesorganic oxidesorganochloridesorganonitrogen compoundsorganopnictogen compoundsorganosulfonamides |
|---|
| Substituents | aryl chloridechlorobenzeneorganosulfonic acid or derivativesbenzenesulfonamideaminosulfonyl compoundorganochlorideorganosulfur compoundorganohalogen compoundaryl halideorganosulfonic acid amidearomatic homomonocyclic compoundorganic oxidesulfonylorganic oxygen compoundorganic sulfonic acid or derivativesorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundhalobenzenebenzenesulfonyl group |
|---|
