N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

C16H24ClF3N2O2S — CID 120712623

IUPACN-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1.Cl
InChIInChI=1S/C16H23F3N2O2S.ClH/c1-2-11-21(14-7-9-20-10-8-14)24(22,23)15-5-3-13(4-6-15)12-16(17,18)19;/h3-6,14,20H,2,7-12H2,1H3;1H
InChIKeyJHMBORLBIOFVEE-UHFFFAOYSA-N
MW400.89 g/mol
LogP3.37
Rot. Bonds6

About N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (PubChem CID 120712623) has the molecular formula C16H24ClF3N2O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
PubChem CID120712623
Molecular FormulaC16H24ClF3N2O2S
Molecular Weight400.89 g/mol
Exact Mass400.12
IUPAC NameN-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1.Cl
InChIInChI=1S/C16H23F3N2O2S.ClH/c1-2-11-21(14-7-9-20-10-8-14)24(22,23)15-5-3-13(4-6-15)12-16(17,18)19;/h3-6,14,20H,2,7-12H2,1H3;1H
InChIKeyJHMBORLBIOFVEE-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-piperidin-4-yl-4-N-propylbenzene-1,4-disulfonamide
CID 175760574
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631
4-butan-2-yl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993611
N-piperidin-4-yl-4-propoxy-N-propylbenzenesulfonamide
CID 119993786
N-[2-fluoro-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119994184
N-piperidin-4-yl-N-propylnaphthalene-2-sulfonamide
CID 119993833
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide;hydrochloride
CID 119993891
4-fluoro-3,5-dimethyl-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 119993817
N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120706275
3-fluoro-4-(methanesulfonamido)-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993908
N-[2-methyl-5-[piperidin-4-yl(propyl)sulfamoyl]phenyl]acetamide
CID 119993892
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119994071

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (CID 120712623) is N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The InChIKey is JHMBORLBIOFVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O2S.ClH/c1-2-11-21(14-7-9-20-10-8-14)24(22,23)15-5-3-13(4-6-15)12-16(17,18)19;/h3-6,14,20H,2,7-12H2,1H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride has a molecular weight of 400.89 g/mol, XLogP of 3.37, 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-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120712623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).