A1CDF

5-ethoxy-2-fluoro-N'-[3-(2-hydroxyethoxy)benzene-1-sulfonyl]benzohydrazide

Created:	2025-05-21
Last modified:	2026-02-11

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1 entries where A1CDF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	0
Bond Count	47
Aromatic Bond Count	12

2D diagram of A1CDF

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Chemical Component Summary
Name	5-ethoxy-2-fluoro-N'-[3-(2-hydroxyethoxy)benzene-1-sulfonyl]benzohydrazide
Systematic Name (OpenEye OEToolkits)	5-ethoxy-2-fluoranyl-~{N}'-[3-(2-hydroxyethyloxy)phenyl]sulfonyl-benzohydrazide
Formula	C₁₇ H₁₉ F N₂ O₆ S
Molecular Weight	398.406
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S(=O)(NNC(=O)c1cc(OCC)ccc1F)c1cc(OCCO)ccc1
SMILES	CACTVS	3.385	CCOc1ccc(F)c(c1)C(=O)NN[S](=O)(=O)c2cccc(OCCO)c2
SMILES	OpenEye OEToolkits	3.1.0.0	CCOc1ccc(c(c1)C(=O)NNS(=O)(=O)c2cccc(c2)OCCO)F
Canonical SMILES	CACTVS	3.385	CCOc1ccc(F)c(c1)C(=O)NN[S](=O)(=O)c2cccc(OCCO)c2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CCOc1ccc(c(c1)C(=O)NNS(=O)(=O)c2cccc(c2)OCCO)F
InChI	InChI	1.06	InChI=1S/C17H19FN2O6S/c1-2-25-13-6-7-16(18)15(11-13)17(22)19-20-27(23,24)14-5-3-4-12(10-14)26-9-8-21/h3-7,10-11,20-21H,2,8-9H2,1H3,(H,19,22)
InChIKey	InChI	1.06	QFUHCIYHPLDGNV-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.