ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate

C16H16FNO5S — CID 39340829

IUPACethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H16FNO5S/c1-2-22-16(19)11-23-14-7-4-6-13(10-14)18-24(20,21)15-8-3-5-12(17)9-15/h3-10,18H,2,11H2,1H3
InChIKeyZSMUPDLJSNZXFZ-UHFFFAOYSA-N
MW353.37 g/mol
LogP2.57
Rot. Bonds7

About ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate

ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate (PubChem CID 39340829) has the molecular formula C16H16FNO5S and a molecular weight of 353.37 g/mol. Its IUPAC name is ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
PubChem CID39340829
Molecular FormulaC16H16FNO5S
Molecular Weight353.37 g/mol
Exact Mass353.07
IUPAC Nameethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NS(=O)(=O)c2cccc(F)c2)c1
InChIInChI=1S/C16H16FNO5S/c1-2-22-16(19)11-23-14-7-4-6-13(10-14)18-24(20,21)15-8-3-5-12(17)9-15/h3-10,18H,2,11H2,1H3
InChIKeyZSMUPDLJSNZXFZ-UHFFFAOYSA-N
XLogP2.57
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
ethyl 2-[3-[(2,5-dimethoxyphenyl)sulfonylamino]phenoxy]acetate
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CID 23470984
N-(2-ethoxypyrimidin-5-yl)-3-fluorobenzenesulfonamide
CID 122301898
N'-(3-fluorophenyl)sulfonyl-2-(3-methylphenoxy)acetohydrazide
CID 8505734
2-(3-fluorophenoxy)-N'-(3-fluorophenyl)sulfonylacetohydrazide
CID 8505982
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 39871916
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate (CID 39340829) is ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate is CCOC(=O)COc1cccc(NS(=O)(=O)c2cccc(F)c2)c1.
What is the InChIKey of ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate?
The InChIKey is ZSMUPDLJSNZXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO5S/c1-2-22-16(19)11-23-14-7-4-6-13(10-14)18-24(20,21)15-8-3-5-12(17)9-15/h3-10,18H,2,11H2,1H3.
What are the key properties of ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate?
ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate has a molecular weight of 353.37 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(3-fluorophenyl)sulfonylamino]phenoxy]acetate is sourced from PubChem (CID 39340829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).