N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

C15H18ClF3N2O3S — CID 1082295

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2O3S/c1-25(23,24)21(10-14(22)20-7-3-2-4-8-20)11-5-6-13(16)12(9-11)15(17,18)19/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyVTKAIXFJSGJQQF-UHFFFAOYSA-N
MW398.83 g/mol
LogP3.14
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (PubChem CID 1082295) has the molecular formula C15H18ClF3N2O3S and a molecular weight of 398.83 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
PubChem CID1082295
Molecular FormulaC15H18ClF3N2O3S
Molecular Weight398.83 g/mol
Exact Mass398.07
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C15H18ClF3N2O3S/c1-25(23,24)21(10-14(22)20-7-3-2-4-8-20)11-5-6-13(16)12(9-11)15(17,18)19/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyVTKAIXFJSGJQQF-UHFFFAOYSA-N
XLogP3.14
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.83
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide (CID 1082295) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is CS(=O)(=O)N(CC(=O)N1CCCCC1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
The InChIKey is VTKAIXFJSGJQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O3S/c1-25(23,24)21(10-14(22)20-7-3-2-4-8-20)11-5-6-13(16)12(9-11)15(17,18)19/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide has a molecular weight of 398.83 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 1082295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).