4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine

C17H22ClF3N2O3S — CID 55735070

IUPAC4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C17H22ClF3N2O3S/c18-14-1-2-16(15(11-14)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
InChIKeyBAVARQUXGMXAHX-UHFFFAOYSA-N
MW426.89 g/mol
LogP3.09
Rot. Bonds4

About 4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine

4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine (PubChem CID 55735070) has the molecular formula C17H22ClF3N2O3S and a molecular weight of 426.89 g/mol. Its IUPAC name is 4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine
PubChem CID55735070
Molecular FormulaC17H22ClF3N2O3S
Molecular Weight426.89 g/mol
Exact Mass426.10
IUPAC Name4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine
SMILESO=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C17H22ClF3N2O3S/c18-14-1-2-16(15(11-14)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
InChIKeyBAVARQUXGMXAHX-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

Analyze 4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(1-morpholinocyclohexyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 16324444
4-{1-[(4-Chloro-2,5-dimethylphenyl)sulfonyl]piperidin-3-yl}morpholine
CID 23724042
4-(4-Chloro-3-fluoro-2-methylphenyl)sulfonylmorpholine
CID 2805841
4-[4-Chloro-2-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 16305186
4-[[1-(4-Chloro-2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 40174365
4-[4-Chloro-2-(trifluoromethyl)phenyl]sulfonyl-2-methylmorpholine
CID 42929068
4-chloro-N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3897515
4-chloro-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 7510144
4-chloro-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(trifluoromethyl)benzenesulfonamide
CID 7510145
(2R,6S)-4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 7938004
(2S,6S)-4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 7938005
(2R,6R)-4-[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-2,6-dimethylmorpholine
CID 7938006

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine (CID 55735070) is 4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine is O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[[1-[4-chloro-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine?
The InChIKey is BAVARQUXGMXAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClF3N2O3S/c18-14-1-2-16(15(11-14)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-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine?
4-[[1-[4-chloro-2-(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-2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 55735070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).