N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide

C17H20FNO4S — CID 90518502

IUPACN-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO4S/c1-22-16-6-8-17(9-7-16)23-12-13-24(20,21)19-11-10-14-2-4-15(18)5-3-14/h2-9,19H,10-13H2,1H3
InChIKeyOHZDKARUBGDQGM-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.38
Rot. Bonds9

About N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide

N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide (PubChem CID 90518502) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
PubChem CID90518502
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide
SMILESCOc1ccc(OCCS(=O)(=O)NCCc2ccc(F)cc2)cc1
InChIInChI=1S/C17H20FNO4S/c1-22-16-6-8-17(9-7-16)23-12-13-24(20,21)19-11-10-14-2-4-15(18)5-3-14/h2-9,19H,10-13H2,1H3
InChIKeyOHZDKARUBGDQGM-UHFFFAOYSA-N
XLogP2.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518395
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-fluorophenoxy)ethanesulfonamide
CID 110299915
2-(4-ethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 90518814
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109000540
2-(4-methoxyphenoxy)-N-(pyridin-4-ylmethyl)ethanesulfonamide
CID 90518392
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129
N-(3,3-diphenylpropyl)-2-(4-methoxyphenoxy)ethanesulfonamide
CID 90518427
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
CID 110306666
2-(4-fluorophenoxy)-N-(3,4,5-trimethoxyphenyl)ethanesulfonamide
CID 110299951
1-(4-bromophenyl)-N-[2-(4-fluorophenyl)ethyl]methanesulfonamide
CID 99817476

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide (CID 90518502) is N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide is COc1ccc(OCCS(=O)(=O)NCCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide?
The InChIKey is OHZDKARUBGDQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-22-16-6-8-17(9-7-16)23-12-13-24(20,21)19-11-10-14-2-4-15(18)5-3-14/h2-9,19H,10-13H2,1H3.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide?
N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 2.38, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-(4-methoxyphenoxy)ethanesulfonamide is sourced from PubChem (CID 90518502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).