4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine

C17H22ClF3N2O3S — CID 55735165

IUPAC4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C17H22ClF3N2O3S/c18-16-2-1-14(11-15(16)17(19,20)21)27(24,25)23-5-3-13(4-6-23)12-22-7-9-26-10-8-22/h1-2,11,13H,3-10,12H2
InChIKeyUKNKBAXGXRPPPJ-UHFFFAOYSA-N
MW426.89 g/mol
LogP3.09
Rot. Bonds4

About 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine

4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine (PubChem CID 55735165) has the molecular formula C17H22ClF3N2O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine
PubChem CID55735165
Molecular FormulaC17H22ClF3N2O3S
Molecular Weight426.89 g/mol
Exact Mass426.10
IUPAC Name4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C17H22ClF3N2O3S/c18-16-2-1-14(11-15(16)17(19,20)21)27(24,25)23-5-3-13(4-6-23)12-22-7-9-26-10-8-22/h1-2,11,13H,3-10,12H2
InChIKeyUKNKBAXGXRPPPJ-UHFFFAOYSA-N
XLogP3.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.89
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine (CID 55735165) is 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine is O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine?
The InChIKey is UKNKBAXGXRPPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClF3N2O3S/c18-16-2-1-14(11-15(16)17(19,20)21)27(24,25)23-5-3-13(4-6-23)12-22-7-9-26-10-8-22/h1-2,11,13H,3-10,12H2.
What are the key properties of 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine?
4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine has a molecular weight of 426.89 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 55735165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).