(2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol

C21H24F3NO4S — CID 175550579

IUPAC(2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol
SMILESCCS(=O)(=O)c1ccc([C@H](CO)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C21H24F3NO4S/c1-2-30(27,28)18-9-5-15(6-10-18)19(14-26)25-11-12-29-20(13-25)16-3-7-17(8-4-16)21(22,23)24/h3-10,19-20,26H,2,11-14H2,1H3/t19-,20?/m0/s1
InChIKeyDQPUAICAWICCMU-XJDOXCRVSA-N
MW443.49 g/mol
LogP3.61
Rot. Bonds6

About (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol

(2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol (PubChem CID 175550579) has the molecular formula C21H24F3NO4S and a molecular weight of 443.49 g/mol. Its IUPAC name is (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol.

Molecular Properties

Compound Name(2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol
PubChem CID175550579
Molecular FormulaC21H24F3NO4S
Molecular Weight443.49 g/mol
Exact Mass443.14
IUPAC Name(2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol
SMILESCCS(=O)(=O)c1ccc([C@H](CO)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)cc1
InChIInChI=1S/C21H24F3NO4S/c1-2-30(27,28)18-9-5-15(6-10-18)19(14-26)25-11-12-29-20(13-25)16-3-7-17(8-4-16)21(22,23)24/h3-10,19-20,26H,2,11-14H2,1H3/t19-,20?/m0/s1
InChIKeyDQPUAICAWICCMU-XJDOXCRVSA-N
XLogP3.61
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol?
The IUPAC name of (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol (CID 175550579) is (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol.
What is the SMILES notation for (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol?
The canonical SMILES for (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol is CCS(=O)(=O)c1ccc([C@H](CO)N2CCOC(c3ccc(C(F)(F)F)cc3)C2)cc1.
What is the InChIKey of (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol?
The InChIKey is DQPUAICAWICCMU-XJDOXCRVSA-N. The full InChI is InChI=1S/C21H24F3NO4S/c1-2-30(27,28)18-9-5-15(6-10-18)19(14-26)25-11-12-29-20(13-25)16-3-7-17(8-4-16)21(22,23)24/h3-10,19-20,26H,2,11-14H2,1H3/t19-,20?/m0/s1.
What are the key properties of (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol?
(2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol has a molecular weight of 443.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-ethylsulfonylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]ethanol is sourced from PubChem (CID 175550579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).