N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride

C16H24ClF3N2O2S — CID 119994035

IUPACN-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H23F3N2O2S.ClH/c1-2-10-21(15-6-8-20-9-7-15)24(22,23)12-13-4-3-5-14(11-13)16(17,18)19;/h3-5,11,15,20H,2,6-10,12H2,1H3;1H
InChIKeyDLCUMMZISAQYJX-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.42
Rot. Bonds6

About N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride

N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride (PubChem CID 119994035) has the molecular formula C16H24ClF3N2O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
PubChem CID119994035
Molecular FormulaC16H24ClF3N2O2S
Molecular Weight400.89 g/mol
Exact Mass400.12
IUPAC NameN-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H23F3N2O2S.ClH/c1-2-10-21(15-6-8-20-9-7-15)24(22,23)12-13-4-3-5-14(11-13)16(17,18)19;/h3-5,11,15,20H,2,6-10,12H2,1H3;1H
InChIKeyDLCUMMZISAQYJX-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993734
methyl 3-[[piperidin-4-yl(propyl)sulfamoyl]methyl]benzoate;hydrochloride
CID 119994180
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride
CID 119993751
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993752
2-[cyclopropyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetamide
CID 15118088
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
N-(1-methylpiperidin-4-yl)-N-propyl-3-(trifluoromethyl)benzenesulfonamide
CID 3309976
(3aR,6aS)-5-[[3-(trifluoromethyl)phenyl]methylsulfonyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120665429
2-chloro-6-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 120712673
N-methyl-N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119553639
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071
N-[benzyl(ethyl)sulfamoyl]-N-propylpiperidin-4-amine
CID 119993996

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride (CID 119994035) is N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)Cc1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
The InChIKey is DLCUMMZISAQYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S.ClH/c1-2-10-21(15-6-8-20-9-7-15)24(22,23)12-13-4-3-5-14(11-13)16(17,18)19;/h3-5,11,15,20H,2,6-10,12H2,1H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride has a molecular weight of 400.89 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 119994035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).