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

C18H27ClN2O2S — CID 16887758

IUPAC1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27ClN2O2S/c19-18-8-4-1-5-16(18)14-24(22,23)20-13-15-9-11-21(12-10-15)17-6-2-3-7-17/h1,4-5,8,15,17,20H,2-3,6-7,9-14H2
InChIKeyPVGHLAMLIXQJNK-UHFFFAOYSA-N
MW370.95 g/mol
LogP3.41
Rot. Bonds6

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

1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide (PubChem CID 16887758) has the molecular formula C18H27ClN2O2S and a molecular weight of 370.95 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide
PubChem CID16887758
Molecular FormulaC18H27ClN2O2S
Molecular Weight370.95 g/mol
Exact Mass370.15
IUPAC Name1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)NCC1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27ClN2O2S/c19-18-8-4-1-5-16(18)14-24(22,23)20-13-15-9-11-21(12-10-15)17-6-2-3-7-17/h1,4-5,8,15,17,20H,2-3,6-7,9-14H2
InChIKeyPVGHLAMLIXQJNK-UHFFFAOYSA-N
XLogP3.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.95
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-Chlorobenzyl)sulfonyl]piperidine
CID 714986
Piperidine, 1-[[(2-chlorophenyl)methyl]sulfonyl]-4-methyl-
CID 715211
1-(4-chlorophenyl)-N-[3-(pyrrolidin-1-yl)propyl]methanesulfonamide
CID 10543484
1-[(2-Chlorobenzyl)sulfonyl]-4-piperidinecarboxamide
CID 847801
1-[(2-Chlorobenzyl)sulfonyl]-2-methylpiperidine
CID 2990591
1-[(2-Chlorobenzyl)sulfonyl]-2-ethylpiperidine
CID 2992383
4-(4-Chlorobenzylidene)-1-((3,5-dimethyl-1H-pyrazol-4-yl) sulfonyl)piperidine
CID 139208494
N-[3-(azepan-1-yl)propyl]-1-(2-chloro-6-fluorophenyl)methanesulfonamide
CID 17640066
1-(2-chlorophenyl)-N-[3-(pyrrolidin-1-yl)propyl]methanesulfonamide
CID 17645879
1-({1-[(2-Chloro-6-fluorophenyl)methanesulfonyl]piperidin-4-YL}methyl)azepane
CID 50848099
1-[(2-Chloro-6-fluorophenyl)methanesulfonyl]-4-[(3-methylpiperidin-1-YL)methyl]piperidine
CID 50848347
1-(2-chlorophenyl)-N-cyclohexylmethanesulfonamide
CID 1502245

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide (CID 16887758) is 1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1Cl)NCC1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide?
The InChIKey is PVGHLAMLIXQJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2S/c19-18-8-4-1-5-16(18)14-24(22,23)20-13-15-9-11-21(12-10-15)17-6-2-3-7-17/h1,4-5,8,15,17,20H,2-3,6-7,9-14H2.
What are the key properties of 1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[(1-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide has a molecular weight of 370.95 g/mol, XLogP of 3.41, 6 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-cyclopentylpiperidin-4-yl)methyl]methanesulfonamide is sourced from PubChem (CID 16887758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).