(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one

C22H23F3N2O5S — CID 74227910

IUPAC(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H23F3N2O5S/c23-22(24,25)32-19-6-8-20(9-7-19)33(29,30)26-12-10-17(11-13-26)27-18(15-31-21(27)28)14-16-4-2-1-3-5-16/h1-9,17-18H,10-15H2/t18-/m0/s1
InChIKeyNWXWZPXXDYJKGY-SFHVURJKSA-N
MW484.50 g/mol
LogP3.80
Rot. Bonds6

About (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 74227910) has the molecular formula C22H23F3N2O5S and a molecular weight of 484.50 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID74227910
Molecular FormulaC22H23F3N2O5S
Molecular Weight484.50 g/mol
Exact Mass484.13
IUPAC Name(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](Cc2ccccc2)N1C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C22H23F3N2O5S/c23-22(24,25)32-19-6-8-20(9-7-19)33(29,30)26-12-10-17(11-13-26)27-18(15-31-21(27)28)14-16-4-2-1-3-5-16/h1-9,17-18H,10-15H2/t18-/m0/s1
InChIKeyNWXWZPXXDYJKGY-SFHVURJKSA-N
XLogP3.80
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-4-benzyl-3-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 74226305
4-benzyl-3-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,3-oxazolidin-2-one
CID 3826075
4-benzyl-3-[1-[(4-methylsulfonylphenyl)methyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3873723
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
ethenyl 4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carboxylate
CID 3857415
3-phenyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 24731349
4-benzyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine
CID 3855275
4-[(2-methylimidazol-1-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine
CID 90494818
methyl 2-[[4-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbothioyl]amino]acetate
CID 3697585
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
4-benzyl-3-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3766970
4-phenyl-1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 86264972

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one (CID 74227910) is (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one is O=C1OC[C@H](Cc2ccccc2)N1C1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is NWXWZPXXDYJKGY-SFHVURJKSA-N. The full InChI is InChI=1S/C22H23F3N2O5S/c23-22(24,25)32-19-6-8-20(9-7-19)33(29,30)26-12-10-17(11-13-26)27-18(15-31-21(27)28)14-16-4-2-1-3-5-16/h1-9,17-18H,10-15H2/t18-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 484.50 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 74227910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).