[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone

C16H18ClF3N2O5S — CID 124725255

IUPAC[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
SMILESO=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C16H18ClF3N2O5S/c17-12-3-1-2-4-14(12)28(24,25)22-5-6-26-13(9-22)15(23)21-7-11(8-21)27-10-16(18,19)20/h1-4,11,13H,5-10H2/t13-/m1/s1
InChIKeyBAYNSODXLRZXKM-CYBMUJFWSA-N
MW442.84 g/mol
LogP1.52
Rot. Bonds5

About [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone

[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone (PubChem CID 124725255) has the molecular formula C16H18ClF3N2O5S and a molecular weight of 442.84 g/mol. Its IUPAC name is [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
PubChem CID124725255
Molecular FormulaC16H18ClF3N2O5S
Molecular Weight442.84 g/mol
Exact Mass442.06
IUPAC Name[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone
SMILESO=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC(OCC(F)(F)F)C1
InChIInChI=1S/C16H18ClF3N2O5S/c17-12-3-1-2-4-14(12)28(24,25)22-5-6-26-13(9-22)15(23)21-7-11(8-21)27-10-16(18,19)20/h1-4,11,13H,5-10H2/t13-/m1/s1
InChIKeyBAYNSODXLRZXKM-CYBMUJFWSA-N
XLogP1.52
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.84
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The IUPAC name of [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone (CID 124725255) is [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone.
What is the SMILES notation for [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The canonical SMILES for [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone is O=C([C@H]1CN(S(=O)(=O)c2ccccc2Cl)CCO1)N1CC(OCC(F)(F)F)C1.
What is the InChIKey of [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
The InChIKey is BAYNSODXLRZXKM-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18ClF3N2O5S/c17-12-3-1-2-4-14(12)28(24,25)22-5-6-26-13(9-22)15(23)21-7-11(8-21)27-10-16(18,19)20/h1-4,11,13H,5-10H2/t13-/m1/s1.
What are the key properties of [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone?
[(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone has a molecular weight of 442.84 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(2-chlorophenyl)sulfonylmorpholin-2-yl]-[3-(2,2,2-trifluoroethoxy)azetidin-1-yl]methanone is sourced from PubChem (CID 124725255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).