HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19082113Generated: October 30, 2026
N-[2-[4-Hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl]ethyl]-3-[2-[2-[4-nitrophenyl]ethoxy]ethylsulphonyl]propanamide
https://huagongshe.com/en/chemical/19082113
Identifiers & Physical Properties
| Molecular formula | C22H25N3O8S2 |
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| Average molar mass | 523.6 g/mol |
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| Monoisotopic mass | 523.10830711 g/mol |
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| SMILES | O=C(CCS(=O)(=O)CCOCCc1ccc([N+](=O)[O-])cc1)NCCc1ccc(O)c2[nH]c(=O)sc12 |
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| InChIKey | AYGZWGQESDSGDW-UHFFFAOYSA-N |
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| PubChem CID | 19082113 |
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Chemical & Physical Properties
| XLogP | 1.8 |
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| Topological polar surface area | 201 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 35 |
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| Formal charge | 0 |
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| Complexity | 837 |
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![N-[2-[4-Hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl]ethyl]-3-[2-[2-[4-nitrophenyl]ethoxy]ethylsulphonyl]propanamide molecular structure](/img/chemical/19082113.png)