HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006209Generated: November 2, 2026
3-[4a-(4-Chloro-benzenesulfonyl)-5,8-difluoro-2,3,4,4a,10,10a-hexahydro-9-oxa-1-aza-phenanthren-1-yl]-propan-1-ol
https://huagongshe.com/en/chemical/67006209
Identifiers & Physical Properties
| Molecular formula | C21H22ClF2NO4S |
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| Average molar mass | 457.9 g/mol |
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| Monoisotopic mass | 457.0926134 g/mol |
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| SMILES | O=S(=O)(c1ccc(Cl)cc1)C12CCCN(CCCO)C1COc1c(F)ccc(F)c12 |
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| InChIKey | UGESKVXFBNCZOL-UHFFFAOYSA-N |
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| PubChem CID | 67006209 |
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Chemical & Physical Properties
| XLogP | 3.3 |
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| Topological polar surface area | 75.2 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 700 |
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![3-[4a-(4-Chloro-benzenesulfonyl)-5,8-difluoro-2,3,4,4a,10,10a-hexahydro-9-oxa-1-aza-phenanthren-1-yl]-propan-1-ol molecular structure](/img/chemical/67006209.png)