N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide

C20H28N4O2S — CID 16815200

IUPACN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N4O2S/c1-2-27(25,26)22-16-20(19-9-6-10-21-15-19)24-13-11-23(12-14-24)17-18-7-4-3-5-8-18/h3-10,15,20,22H,2,11-14,16-17H2,1H3
InChIKeyMVHLVTOUQARKRD-UHFFFAOYSA-N
MW388.54 g/mol
LogP1.88
Rot. Bonds8

About N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide

N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide (PubChem CID 16815200) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide
PubChem CID16815200
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N4O2S/c1-2-27(25,26)22-16-20(19-9-6-10-21-15-19)24-13-11-23(12-14-24)17-18-7-4-3-5-8-18/h3-10,15,20,22H,2,11-14,16-17H2,1H3
InChIKeyMVHLVTOUQARKRD-UHFFFAOYSA-N
XLogP1.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide (CID 16815200) is N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide is CCS(=O)(=O)NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide?
The InChIKey is MVHLVTOUQARKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-2-27(25,26)22-16-20(19-9-6-10-21-15-19)24-13-11-23(12-14-24)17-18-7-4-3-5-8-18/h3-10,15,20,22H,2,11-14,16-17H2,1H3.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide?
N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide has a molecular weight of 388.54 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]ethanesulfonamide is sourced from PubChem (CID 16815200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).