1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide

C21H27ClN2O2S — CID 16887905

IUPAC1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27ClN2O2S/c22-21-9-5-4-8-20(21)17-27(25,26)23-16-19-11-14-24(15-12-19)13-10-18-6-2-1-3-7-18/h1-9,19,23H,10-17H2
InChIKeyXYCSUPDKGGTIPT-UHFFFAOYSA-N
MW406.98 g/mol
LogP3.71
Rot. Bonds8

About 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide

1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide (PubChem CID 16887905) has the molecular formula C21H27ClN2O2S and a molecular weight of 406.98 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
PubChem CID16887905
Molecular FormulaC21H27ClN2O2S
Molecular Weight406.98 g/mol
Exact Mass406.15
IUPAC Name1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C21H27ClN2O2S/c22-21-9-5-4-8-20(21)17-27(25,26)23-16-19-11-14-24(15-12-19)13-10-18-6-2-1-3-7-18/h1-9,19,23H,10-17H2
InChIKeyXYCSUPDKGGTIPT-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.98
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylphenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16887899
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
1-(2-chlorophenyl)-N-[[1-(4-methylphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110413831
1-(2-chlorophenyl)-N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
CID 110640625
2,5-dimethyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887877
1-(2-chlorophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]methanesulfonamide
CID 110722896
N-[(1-benzylpiperidin-4-yl)methyl]-1-(4-methoxyphenyl)methanesulfonamide
CID 16887837
N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
CID 106136203
1,4-bis(2-phenylethyl)piperidine
CID 86059939
N-[(1-acetylpiperidin-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110736247
N-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methyl]-2-phenylethanesulfonamide
CID 97217880
1-(3-chlorophenyl)-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]methanesulfonamide
CID 16888080

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide (CID 16887905) is 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide?
The InChIKey is XYCSUPDKGGTIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2O2S/c22-21-9-5-4-8-20(21)17-27(25,26)23-16-19-11-14-24(15-12-19)13-10-18-6-2-1-3-7-18/h1-9,19,23H,10-17H2.
What are the key properties of 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide has a molecular weight of 406.98 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]methanesulfonamide is sourced from PubChem (CID 16887905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).