HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68898138Generated: November 3, 2026
N-[4-(3-nitro-7-benzyloxyquinolin-4-ylamino)butyl]methanesulfonamide
https://huagongshe.com/en/chemical/68898138
Identifiers & Physical Properties
| Molecular formula | C21H24N4O5S |
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| Average molar mass | 444.5 g/mol |
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| Monoisotopic mass | 444.14674105 g/mol |
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| SMILES | CS(=O)(=O)NCCCCNc1c([N+](=O)[O-])cnc2cc(OCc3ccccc3)ccc12 |
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| InChIKey | CXHRDUNFJIENFO-UHFFFAOYSA-N |
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| PubChem CID | 68898138 |
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Chemical & Physical Properties
| XLogP | 3.8 |
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| Topological polar surface area | 135 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 10 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 660 |
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![N-[4-(3-nitro-7-benzyloxyquinolin-4-ylamino)butyl]methanesulfonamide molecular structure](/img/chemical/68898138.png)