N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

C19H27F3N2O3S — CID 91813049

IUPACN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C19H27F3N2O3S/c20-19(21,22)17-3-1-16(2-4-17)14-28(25,26)23-13-15-5-9-24(10-6-15)18-7-11-27-12-8-18/h1-4,15,18,23H,5-14H2
InChIKeyNKDKMXLZFUVTDC-UHFFFAOYSA-N
MW420.50 g/mol
LogP3.02
Rot. Bonds6

About N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide

N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 91813049) has the molecular formula C19H27F3N2O3S and a molecular weight of 420.50 g/mol. Its IUPAC name is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID91813049
Molecular FormulaC19H27F3N2O3S
Molecular Weight420.50 g/mol
Exact Mass420.17
IUPAC NameN-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C19H27F3N2O3S/c20-19(21,22)17-3-1-16(2-4-17)14-28(25,26)23-13-15-5-9-24(10-6-15)18-7-11-27-12-8-18/h1-4,15,18,23H,5-14H2
InChIKeyNKDKMXLZFUVTDC-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.50
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide (CID 91813049) is N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is O=S(=O)(Cc1ccc(C(F)(F)F)cc1)NCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is NKDKMXLZFUVTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2O3S/c20-19(21,22)17-3-1-16(2-4-17)14-28(25,26)23-13-15-5-9-24(10-6-15)18-7-11-27-12-8-18/h1-4,15,18,23H,5-14H2.
What are the key properties of N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide?
N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 420.50 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 91813049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).