4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide

C17H19FN2O4S — CID 135678808

IUPAC4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C(\CC)c2cc(F)ccc2O)cc1
InChIInChI=1S/C17H19FN2O4S/c1-3-16(15-11-12(18)5-10-17(15)21)19-20-25(22,23)14-8-6-13(7-9-14)24-4-2/h5-11,20-21H,3-4H2,1-2H3/b19-16+
InChIKeyWWZZAMNWEUMTPY-KNTRCKAVSA-N
MW366.41 g/mol
LogP3.02
Rot. Bonds7

About 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide

4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide (PubChem CID 135678808) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide
PubChem CID135678808
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC Name4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C(\CC)c2cc(F)ccc2O)cc1
InChIInChI=1S/C17H19FN2O4S/c1-3-16(15-11-12(18)5-10-17(15)21)19-20-25(22,23)14-8-6-13(7-9-14)24-4-2/h5-11,20-21H,3-4H2,1-2H3/b19-16+
InChIKeyWWZZAMNWEUMTPY-KNTRCKAVSA-N
XLogP3.02
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzamide
CID 135613550
4-ethyl-N-[(E)-1-(2-hydroxyphenyl)propylideneamino]benzenesulfonamide
CID 135957990
2-(4-ethylphenoxy)-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]acetamide
CID 135575981
N-[1-(5-fluoro-2-hydroxyphenyl)propylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 3988211
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-4-ethoxybenzenesulfonamide
CID 135683893
N-(4-ethoxyphenyl)-5-fluoro-2-hydroxybenzamide
CID 79532343
4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
CID 135577280
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
4-ethoxy-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]benzenesulfonamide
CID 9078161
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)pentylideneamino]benzenesulfonamide
CID 135589157
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-fluorobenzenesulfonamide
CID 136873420

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide (CID 135678808) is 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C(\CC)c2cc(F)ccc2O)cc1.
What is the InChIKey of 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
The InChIKey is WWZZAMNWEUMTPY-KNTRCKAVSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c1-3-16(15-11-12(18)5-10-17(15)21)19-20-25(22,23)14-8-6-13(7-9-14)24-4-2/h5-11,20-21H,3-4H2,1-2H3/b19-16+.
What are the key properties of 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide?
4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide has a molecular weight of 366.41 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(E)-1-(5-fluoro-2-hydroxyphenyl)propylideneamino]benzenesulfonamide is sourced from PubChem (CID 135678808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).