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

C15H22ClF3N2O3S — CID 119994071

IUPACN-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O3S.ClH/c1-2-11-20(12-7-9-19-10-8-12)24(21,22)14-6-4-3-5-13(14)23-15(16,17)18;/h3-6,12,19H,2,7-11H2,1H3;1H
InChIKeyZWJVXBIMZYMBPY-UHFFFAOYSA-N
MW402.87 g/mol
LogP3.16
Rot. Bonds6

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

N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride (PubChem CID 119994071) has the molecular formula C15H22ClF3N2O3S and a molecular weight of 402.87 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
PubChem CID119994071
Molecular FormulaC15H22ClF3N2O3S
Molecular Weight402.87 g/mol
Exact Mass402.10
IUPAC NameN-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)c1ccccc1OC(F)(F)F.Cl
InChIInChI=1S/C15H21F3N2O3S.ClH/c1-2-11-20(12-7-9-19-10-8-12)24(21,22)14-6-4-3-5-13(14)23-15(16,17)18;/h3-6,12,19H,2,7-11H2,1H3;1H
InChIKeyZWJVXBIMZYMBPY-UHFFFAOYSA-N
XLogP3.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.87
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
2,3-dichloro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60806599
3-bromo-2-methyl-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994194
2-bromo-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119993945
methyl 2-methyl-3-[piperidin-4-yl(propyl)sulfamoyl]benzoate
CID 119993890
N-(azetidin-3-yl)-N-methyl-2-(trifluoromethoxy)benzenesulfonamide
CID 66187577
N-piperidin-4-yl-N-propyl-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119825481
methyl 2-[propyl(pyrrolidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 119976798
N-piperidin-4-yl-N-propyl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120712623
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123
N-piperidin-4-yl-N-propylquinoline-5-sulfonamide;hydrochloride
CID 119993724
N-piperidin-4-yl-N-propyl-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 120712631

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride (CID 119994071) is N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)c1ccccc1OC(F)(F)F.Cl.
What is the InChIKey of N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
The InChIKey is ZWJVXBIMZYMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3S.ClH/c1-2-11-20(12-7-9-19-10-8-12)24(21,22)14-6-4-3-5-13(14)23-15(16,17)18;/h3-6,12,19H,2,7-11H2,1H3;1H.
What are the key properties of N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride?
N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride has a molecular weight of 402.87 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-2-(trifluoromethoxy)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119994071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).