HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006642Generated: November 2, 2026
2-Amino-1-[4a-(4-chloro-benzenesulfonyl)-5,8-difluoro-2,3,4,4a,10,10a-hexahydro-9-oxa-1-aza-phenanthren-1-yl]-ethanone
https://huagongshe.com/en/chemical/67006642
Identifiers & Physical Properties
| Molecular formula | C20H19ClF2N2O4S |
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| Average molar mass | 456.9 g/mol |
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| Monoisotopic mass | 456.0722123 g/mol |
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| SMILES | NCC(=O)N1CCCC2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OCC12 |
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| InChIKey | VKEGMGXTFYPRLK-UHFFFAOYSA-N |
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| PubChem CID | 67006642 |
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Chemical & Physical Properties
| XLogP | 2.2 |
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| Topological polar surface area | 98.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 30 |
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| Formal charge | 0 |
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| Complexity | 758 |
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![2-Amino-1-[4a-(4-chloro-benzenesulfonyl)-5,8-difluoro-2,3,4,4a,10,10a-hexahydro-9-oxa-1-aza-phenanthren-1-yl]-ethanone molecular structure](/img/chemical/67006642.png)