N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride

C14H20ClF3N2O2S — CID 120999709

IUPACN-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCN(C1CCNCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-19(12-6-8-18-9-7-12)22(20,21)10-11-4-2-3-5-13(11)14(15,16)17;/h2-5,12,18H,6-10H2,1H3;1H
InChIKeyVSBDDFQWSMJRFL-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.64
Rot. Bonds4

About N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride

N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride (PubChem CID 120999709) has the molecular formula C14H20ClF3N2O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
PubChem CID120999709
Molecular FormulaC14H20ClF3N2O2S
Molecular Weight372.84 g/mol
Exact Mass372.09
IUPAC NameN-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCN(C1CCNCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-19(12-6-8-18-9-7-12)22(20,21)10-11-4-2-3-5-13(11)14(15,16)17;/h2-5,12,18H,6-10H2,1H3;1H
InChIKeyVSBDDFQWSMJRFL-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 2773944
N-cyclohexyl-2-(2-phenylethylamino)ethanesulfonamide
CID 45479967
(R)-2-(2,5-difluorophenyl)-1-(1-(methylsulfonyl)piperidin-4-yl)ethanamine
CID 53324155
N-((4-fluoro-1-(methylsulfonyl) piperidin-4-yl)methyl)-trans-2-phenylcyclopropylamine
CID 130453455
N-methyl-N-(2-phenylethyl)-1-[(2,2,2-trifluoroethyl)sulfonyl]piperidin-3-amine
CID 23723245
US10233152, Example 128
CID 129279609
US10233152, Example 39
CID 129279684
1-(2-methylphenyl)-N-[3-(piperidin-1-yl)propyl]methanesulfonamide
CID 17611687
1-(2-fluorophenyl)-N-[3-(piperidin-1-yl)propyl]methanesulfonamide
CID 17611690
1-(2-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]methanesulfonamide
CID 17641858
N-[1-(2-phenylethyl)piperidin-4-yl]methanesulfonamide
CID 37533862
N-butyl-2-(2-phenylethylamino)ethanesulfonamide
CID 44602032

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride (CID 120999709) is N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride is CN(C1CCNCC1)S(=O)(=O)Cc1ccccc1C(F)(F)F.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
The InChIKey is VSBDDFQWSMJRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S.ClH/c1-19(12-6-8-18-9-7-12)22(20,21)10-11-4-2-3-5-13(11)14(15,16)17;/h2-5,12,18H,6-10H2,1H3;1H.
What are the key properties of N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride has a molecular weight of 372.84 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120999709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).