HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 482713Generated: October 27, 2026
N-[4-methoxy-4-(benzothiazol-2-yl)cyclohexa-2,5-dienylidene]4-methylbenzenesulphonamide
https://huagongshe.com/en/chemical/482713
Identifiers & Physical Properties
| Molecular formula | C21H18N2O3S2 |
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| Average molar mass | 410.5 g/mol |
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| SMILES | COC1(c2nc3ccccc3s2)C=CC(=NS(=O)(=O)c2ccc(C)cc2)C=C1 |
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| InChIKey | PHIGURWOADLFSC-UHFFFAOYSA-N |
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| PubChem CID | 482713 |
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| ChEMBL | CHEMBL356657 |
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Chemical & Physical Properties
| XLogP | 4.3 |
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| Topological polar surface area | 105 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 745 |
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![N-[4-methoxy-4-(benzothiazol-2-yl)cyclohexa-2,5-dienylidene]4-methylbenzenesulphonamide molecular structure](/img/chemical/482713.png)