1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride

C15H23Cl3N2O2S — CID 119993751

IUPAC1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C15H22Cl2N2O2S.ClH/c1-2-7-19(15-3-5-18-6-4-15)22(20,21)11-12-8-13(16)10-14(17)9-12;/h8-10,15,18H,2-7,11H2,1H3;1H
InChIKeyRRKDLGSWKXOHIO-UHFFFAOYSA-N
MW401.79 g/mol
LogP3.71
Rot. Bonds6

About 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride

1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride (PubChem CID 119993751) has the molecular formula C15H23Cl3N2O2S and a molecular weight of 401.79 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride
PubChem CID119993751
Molecular FormulaC15H23Cl3N2O2S
Molecular Weight401.79 g/mol
Exact Mass400.05
IUPAC Name1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride
SMILESCCCN(C1CCNCC1)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1.Cl
InChIInChI=1S/C15H22Cl2N2O2S.ClH/c1-2-7-19(15-3-5-18-6-4-15)22(20,21)11-12-8-13(16)10-14(17)9-12;/h8-10,15,18H,2-7,11H2,1H3;1H
InChIKeyRRKDLGSWKXOHIO-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.79
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993752
N-piperidin-4-yl-N-propyl-1-[3-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 119994035
1-(3-methoxyphenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide
CID 119993734
methyl 3-[[piperidin-4-yl(propyl)sulfamoyl]methyl]benzoate;hydrochloride
CID 119994180
2,4,6-trichloro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63300848
5-chloro-2-nitro-N-piperidin-4-yl-N-propylbenzenesulfonamide;hydrochloride
CID 119994172
N-propyl-N-pyrrolidin-3-ylethanesulfonamide
CID 60805146
2-ethoxy-N-piperidin-4-yl-N-propylethanesulfonamide;hydrochloride
CID 119993802
5-chloro-4-methyl-N-piperidin-4-yl-N-propylthiophene-2-sulfonamide
CID 103100371
3-methyl-N-piperidin-4-yl-N-propylbutane-1-sulfonamide
CID 63855512
5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034
2-chloro-4-fluoro-N-piperidin-4-yl-N-propylbenzenesulfonamide
CID 60807123

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride (CID 119993751) is 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride is CCCN(C1CCNCC1)S(=O)(=O)Cc1cc(Cl)cc(Cl)c1.Cl.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride?
The InChIKey is RRKDLGSWKXOHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O2S.ClH/c1-2-7-19(15-3-5-18-6-4-15)22(20,21)11-12-8-13(16)10-14(17)9-12;/h8-10,15,18H,2-7,11H2,1H3;1H.
What are the key properties of 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride?
1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride has a molecular weight of 401.79 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-N-piperidin-4-yl-N-propylmethanesulfonamide;hydrochloride is sourced from PubChem (CID 119993751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).