4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine

C19H20F3NO3S — CID 164679584

IUPAC4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(CC(F)(F)F)(c3ccccc3)C2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-15-7-9-17(10-8-15)27(24,25)23-11-12-26-18(14-23,13-19(20,21)22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyLPOLSSHZPIJDFX-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.86
Rot. Bonds4

About 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine

4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine (PubChem CID 164679584) has the molecular formula C19H20F3NO3S and a molecular weight of 399.43 g/mol. Its IUPAC name is 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine.

Molecular Properties

Compound Name4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine
PubChem CID164679584
Molecular FormulaC19H20F3NO3S
Molecular Weight399.43 g/mol
Exact Mass399.11
IUPAC Name4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine
SMILESCc1ccc(S(=O)(=O)N2CCOC(CC(F)(F)F)(c3ccccc3)C2)cc1
InChIInChI=1S/C19H20F3NO3S/c1-15-7-9-17(10-8-15)27(24,25)23-11-12-26-18(14-23,13-19(20,21)22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyLPOLSSHZPIJDFX-UHFFFAOYSA-N
XLogP3.86
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine?
The IUPAC name of 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine (CID 164679584) is 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine.
What is the SMILES notation for 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine?
The canonical SMILES for 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine is Cc1ccc(S(=O)(=O)N2CCOC(CC(F)(F)F)(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine?
The InChIKey is LPOLSSHZPIJDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3S/c1-15-7-9-17(10-8-15)27(24,25)23-11-12-26-18(14-23,13-19(20,21)22)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3.
What are the key properties of 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine?
4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine has a molecular weight of 399.43 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine is sourced from PubChem (CID 164679584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).