HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 163202808Generated: November 4, 2026
Benzenesulfonic acid, 4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]-
https://huagongshe.com/en/chemical/163202808
Identifiers & Physical Properties
| CAS No. | 2222920-39-8 |
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| Molecular formula | C16H20N2O5S |
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| Average molar mass | 352.4 g/mol |
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| Monoisotopic mass | 352.10929292 g/mol |
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| SMILES | CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)O)cc2)C1=O |
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| InChIKey | YQBJWHGQDRPOCV-UHFFFAOYSA-N |
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| PubChem CID | 163202808 |
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Chemical & Physical Properties
| XLogP | 1.4 |
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| Topological polar surface area | 112 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 24 |
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| Formal charge | 0 |
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| Complexity | 627 |
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![Benzenesulfonic acid, 4-[2-[[(3-ethyl-2,5-dihydro-4-methyl-2-oxo-1H-pyrrol-1-yl)carbonyl]amino]ethyl]- molecular structure](/img/chemical/163202808.png)