4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine

C18H18F3NO4S — CID 17469191

IUPAC4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1
InChIInChI=1S/C18H18F3NO4S/c19-18(20,21)15-3-1-2-14(12-15)13-26-16-4-6-17(7-5-16)27(23,24)22-8-10-25-11-9-22/h1-7,12H,8-11,13H2
InChIKeyXBEUDXVKIRJSPS-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.31
Rot. Bonds5

About 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine

4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine (PubChem CID 17469191) has the molecular formula C18H18F3NO4S and a molecular weight of 401.41 g/mol. Its IUPAC name is 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine
PubChem CID17469191
Molecular FormulaC18H18F3NO4S
Molecular Weight401.41 g/mol
Exact Mass401.09
IUPAC Name4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1
InChIInChI=1S/C18H18F3NO4S/c19-18(20,21)15-3-1-2-14(12-15)13-26-16-4-6-17(7-5-16)27(23,24)22-8-10-25-11-9-22/h1-7,12H,8-11,13H2
InChIKeyXBEUDXVKIRJSPS-UHFFFAOYSA-N
XLogP3.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine (CID 17469191) is 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(OCc2cccc(C(F)(F)F)c2)cc1)N1CCOCC1.
What is the InChIKey of 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine?
The InChIKey is XBEUDXVKIRJSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO4S/c19-18(20,21)15-3-1-2-14(12-15)13-26-16-4-6-17(7-5-16)27(23,24)22-8-10-25-11-9-22/h1-7,12H,8-11,13H2.
What are the key properties of 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine?
4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine has a molecular weight of 401.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]sulfonylmorpholine is sourced from PubChem (CID 17469191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).