N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide

C26H27Cl3N2O2S — CID 163655849

IUPACN-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(CC2CCCC(c3ccc(Cl)cc3Cl)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H27Cl3N2O2S/c1-34(32,33)30-17-19-7-5-18(6-8-19)15-23-3-2-4-26(24-14-11-21(28)16-25(24)29)31(23)22-12-9-20(27)10-13-22/h5-14,16,23,26,30H,2-4,15,17H2,1H3
InChIKeyIQDDYZNCQIBPHZ-UHFFFAOYSA-N
MW537.94 g/mol
LogP7.04
Rot. Bonds7

About N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide

N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide (PubChem CID 163655849) has the molecular formula C26H27Cl3N2O2S and a molecular weight of 537.94 g/mol. Its IUPAC name is N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide
PubChem CID163655849
Molecular FormulaC26H27Cl3N2O2S
Molecular Weight537.94 g/mol
Exact Mass536.09
IUPAC NameN-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1ccc(CC2CCCC(c3ccc(Cl)cc3Cl)N2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H27Cl3N2O2S/c1-34(32,33)30-17-19-7-5-18(6-8-19)15-23-3-2-4-26(24-14-11-21(28)16-25(24)29)31(23)22-12-9-20(27)10-13-22/h5-14,16,23,26,30H,2-4,15,17H2,1H3
InChIKeyIQDDYZNCQIBPHZ-UHFFFAOYSA-N
XLogP7.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.94
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide (CID 163655849) is N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide is CS(=O)(=O)NCc1ccc(CC2CCCC(c3ccc(Cl)cc3Cl)N2c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide?
The InChIKey is IQDDYZNCQIBPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl3N2O2S/c1-34(32,33)30-17-19-7-5-18(6-8-19)15-23-3-2-4-26(24-14-11-21(28)16-25(24)29)31(23)22-12-9-20(27)10-13-22/h5-14,16,23,26,30H,2-4,15,17H2,1H3.
What are the key properties of N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide?
N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide has a molecular weight of 537.94 g/mol, XLogP of 7.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 163655849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).