N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide

C16H18FNO4S — CID 59191345

IUPACN-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Oc2ccc(CC)cc2O)c(F)c1
InChIInChI=1S/C16H18FNO4S/c1-3-11-5-7-16(14(19)9-11)22-15-8-6-12(10-13(15)17)23(20,21)18-4-2/h5-10,18-19H,3-4H2,1-2H3
InChIKeyXYTCBLSVAGLDPL-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.18
Rot. Bonds6

About N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide

N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide (PubChem CID 59191345) has the molecular formula C16H18FNO4S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide
PubChem CID59191345
Molecular FormulaC16H18FNO4S
Molecular Weight339.39 g/mol
Exact Mass339.09
IUPAC NameN-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(Oc2ccc(CC)cc2O)c(F)c1
InChIInChI=1S/C16H18FNO4S/c1-3-11-5-7-16(14(19)9-11)22-15-8-6-12(10-13(15)17)23(20,21)18-4-2/h5-10,18-19H,3-4H2,1-2H3
InChIKeyXYTCBLSVAGLDPL-UHFFFAOYSA-N
XLogP3.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 59191347
4-(4-ethyl-2-hydroxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide;4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 160552238
N-ethyl-3-hydroxy-4-methoxybenzenesulfonamide
CID 165487001
2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide
CID 59191391
4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoro-N-propylbenzenesulfonamide
CID 59191207
5-ethyl-2-[2-fluoro-4-[(E)-N-iodo-C-methylcarbonimidoyl]phenoxy]phenol
CID 143582789
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]benzenesulfonamide
CID 110780034
ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate
CID 158233848
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
2-(2,4-dichlorophenoxy)-5-ethylphenol
CID 25023958
5-ethyl-2-(2-fluorophenoxy)phenol;N-[2-(sulfonylamino)ethyl]acetamide
CID 87494500

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide?
The IUPAC name of N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide (CID 59191345) is N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide is CCNS(=O)(=O)c1ccc(Oc2ccc(CC)cc2O)c(F)c1.
What is the InChIKey of N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide?
The InChIKey is XYTCBLSVAGLDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4S/c1-3-11-5-7-16(14(19)9-11)22-15-8-6-12(10-13(15)17)23(20,21)18-4-2/h5-10,18-19H,3-4H2,1-2H3.
What are the key properties of N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide?
N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide has a molecular weight of 339.39 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 59191345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).