HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67228551Generated: October 28, 2026
1-benzenesulfonyl-5-fluoro-2-{1-[4-(2-methoxy-ethanesulfonyl)-phenyl]-3-methyl-but-1-enyl}-1H-pyrrolo[2,3-b]pyridine
https://huagongshe.com/en/chemical/67228551
Identifiers & Physical Properties
| Molecular formula | C27H27FN2O5S2 |
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| Average molar mass | 542.6 g/mol |
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| SMILES | COCCS(=O)(=O)c1ccc(C(=CC(C)C)c2cc3cc(F)cnc3n2S(=O)(=O)c2ccccc2)cc1 |
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| InChIKey | JPQKAHCIWKPBOI-UHFFFAOYSA-N |
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| PubChem CID | 67228551 |
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Chemical & Physical Properties
| XLogP | 5.4 |
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| Topological polar surface area | 112 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 991 |
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![1-benzenesulfonyl-5-fluoro-2-{1-[4-(2-methoxy-ethanesulfonyl)-phenyl]-3-methyl-but-1-enyl}-1H-pyrrolo[2,3-b]pyridine molecular structure](/img/chemical/67228551.png)