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

C20H22F3NO3S — CID 164678647

IUPAC6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC(CC(F)(F)F)(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22F3NO3S/c1-15-8-10-18(11-9-15)28(25,26)24-12-16(2)27-19(14-24,13-20(21,22)23)17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3
InChIKeyXITYWRTYGJWWMS-UHFFFAOYSA-N
MW413.46 g/mol
LogP4.25
Rot. Bonds4

About 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine

6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine (PubChem CID 164678647) has the molecular formula C20H22F3NO3S and a molecular weight of 413.46 g/mol. Its IUPAC name is 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine.

Molecular Properties

Compound Name6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine
PubChem CID164678647
Molecular FormulaC20H22F3NO3S
Molecular Weight413.46 g/mol
Exact Mass413.13
IUPAC Name6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine
SMILESCc1ccc(S(=O)(=O)N2CC(C)OC(CC(F)(F)F)(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22F3NO3S/c1-15-8-10-18(11-9-15)28(25,26)24-12-16(2)27-19(14-24,13-20(21,22)23)17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3
InChIKeyXITYWRTYGJWWMS-UHFFFAOYSA-N
XLogP4.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine 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 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine?
The IUPAC name of 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine (CID 164678647) is 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine.
What is the SMILES notation for 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine?
The canonical SMILES for 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine is Cc1ccc(S(=O)(=O)N2CC(C)OC(CC(F)(F)F)(c3ccccc3)C2)cc1.
What is the InChIKey of 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine?
The InChIKey is XITYWRTYGJWWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO3S/c1-15-8-10-18(11-9-15)28(25,26)24-12-16(2)27-19(14-24,13-20(21,22)23)17-6-4-3-5-7-17/h3-11,16H,12-14H2,1-2H3.
What are the key properties of 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine?
6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine has a molecular weight of 413.46 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-methylphenyl)sulfonyl-2-phenyl-2-(2,2,2-trifluoroethyl)morpholine is sourced from PubChem (CID 164678647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).