N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide

C15H19F3N2O3S — CID 51969222

IUPACN-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C15H19F3N2O3S/c1-11(14(21)20-8-3-2-4-9-20)19-24(22,23)13-7-5-6-12(10-13)15(16,17)18/h5-7,10-11,19H,2-4,8-9H2,1H3/t11-/m1/s1
InChIKeyNZYSNRGZSWPWAK-LLVKDONJSA-N
MW364.39 g/mol
LogP2.38
Rot. Bonds4

About N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 51969222) has the molecular formula C15H19F3N2O3S and a molecular weight of 364.39 g/mol. Its IUPAC name is N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID51969222
Molecular FormulaC15H19F3N2O3S
Molecular Weight364.39 g/mol
Exact Mass364.11
IUPAC NameN-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1
InChIInChI=1S/C15H19F3N2O3S/c1-11(14(21)20-8-3-2-4-9-20)19-24(22,23)13-7-5-6-12(10-13)15(16,17)18/h5-7,10-11,19H,2-4,8-9H2,1H3/t11-/m1/s1
InChIKeyNZYSNRGZSWPWAK-LLVKDONJSA-N
XLogP2.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
[2-(azepan-1-yl)-2-oxoethyl] 4-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoate
CID 3973703
N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzamide
CID 94667832
4-chloro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 40811378
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanethioamide
CID 61124235
(2R)-1-pyrrolidin-1-yl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propan-1-one
CID 8512627
3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
N-[1-[3-(aminomethyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 86813747
[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl] (2S)-3-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanoate
CID 41114940

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 51969222) is N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide is C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NZYSNRGZSWPWAK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19F3N2O3S/c1-11(14(21)20-8-3-2-4-9-20)19-24(22,23)13-7-5-6-12(10-13)15(16,17)18/h5-7,10-11,19H,2-4,8-9H2,1H3/t11-/m1/s1.
What are the key properties of N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 364.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 51969222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).