2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide

C19H26N4O2S — CID 169225222

IUPAC2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccn1
InChIInChI=1S/C19H26N4O2S/c24-26(25,21-16-19-8-4-5-9-20-19)15-14-22-10-12-23(13-11-22)17-18-6-2-1-3-7-18/h1-9,21H,10-17H2
InChIKeyPLECPDTWMDMRPO-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.32
Rot. Bonds8

About 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide

2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide (PubChem CID 169225222) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide
PubChem CID169225222
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide
SMILESO=S(=O)(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccn1
InChIInChI=1S/C19H26N4O2S/c24-26(25,21-16-19-8-4-5-9-20-19)15-14-22-10-12-23(13-11-22)17-18-6-2-1-3-7-18/h1-9,21H,10-17H2
InChIKeyPLECPDTWMDMRPO-UHFFFAOYSA-N
XLogP1.32
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 46488455
4-[(4-benzylpiperazin-1-yl)methyl]-N-(pyridin-2-ylmethyl)benzamide
CID 46055500
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
4-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212679
(3R,4R)-1-benzyl-3-N,4-N-bis(pyridin-2-ylmethyl)pyrrolidine-3,4-diamine
CID 132523646
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
4-[(4-methylphenyl)methyl]-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113107020
1-[4-(piperidin-1-ylmethyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 83962786
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 2988708
N-[(3-chlorophenyl)methyl]-2-pyridin-2-ylethanesulfonamide
CID 25042955
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-(3-methylsulfonylpropyl)piperazine
CID 142978183

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide (CID 169225222) is 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide is O=S(=O)(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccn1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide?
The InChIKey is PLECPDTWMDMRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c24-26(25,21-16-19-8-4-5-9-20-19)15-14-22-10-12-23(13-11-22)17-18-6-2-1-3-7-18/h1-9,21H,10-17H2.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide?
2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 1.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 169225222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).