2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide

C15H23FN2O5S2 — CID 110306666

IUPAC2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)NCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H23FN2O5S2/c16-14-4-6-15(7-5-14)23-11-13-24(19,20)17-8-12-25(21,22)18-9-2-1-3-10-18/h4-7,17H,1-3,8-13H2
InChIKeyYNOFNBPNFXOZEG-UHFFFAOYSA-N
MW394.49 g/mol
LogP0.94
Rot. Bonds9

About 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide

2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide (PubChem CID 110306666) has the molecular formula C15H23FN2O5S2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
PubChem CID110306666
Molecular FormulaC15H23FN2O5S2
Molecular Weight394.49 g/mol
Exact Mass394.10
IUPAC Name2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide
SMILESO=S(=O)(CCOc1ccc(F)cc1)NCCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C15H23FN2O5S2/c16-14-4-6-15(7-5-14)23-11-13-24(19,20)17-8-12-25(21,22)18-9-2-1-3-10-18/h4-7,17H,1-3,8-13H2
InChIKeyYNOFNBPNFXOZEG-UHFFFAOYSA-N
XLogP0.94
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide?
The IUPAC name of 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide (CID 110306666) is 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide?
The canonical SMILES for 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide is O=S(=O)(CCOc1ccc(F)cc1)NCCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide?
The InChIKey is YNOFNBPNFXOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O5S2/c16-14-4-6-15(7-5-14)23-11-13-24(19,20)17-8-12-25(21,22)18-9-2-1-3-10-18/h4-7,17H,1-3,8-13H2.
What are the key properties of 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide?
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide has a molecular weight of 394.49 g/mol, XLogP of 0.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-N-(2-piperidin-1-ylsulfonylethyl)ethanesulfonamide is sourced from PubChem (CID 110306666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).