N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide

C18H24N4O2S — CID 21274454

IUPACN-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-25(23,24)20-17-4-2-16(3-5-17)8-11-21-12-14-22(15-13-21)18-6-9-19-10-7-18/h2-7,9-10,20H,8,11-15H2,1H3
InChIKeyIAVQXEJOXYEWMG-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.82
Rot. Bonds6

About N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide

N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide (PubChem CID 21274454) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
PubChem CID21274454
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CCN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-25(23,24)20-17-4-2-16(3-5-17)8-11-21-12-14-22(15-13-21)18-6-9-19-10-7-18/h2-7,9-10,20H,8,11-15H2,1H3
InChIKeyIAVQXEJOXYEWMG-UHFFFAOYSA-N
XLogP1.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide (CID 21274454) is N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CCN2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide?
The InChIKey is IAVQXEJOXYEWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-25(23,24)20-17-4-2-16(3-5-17)8-11-21-12-14-22(15-13-21)18-6-9-19-10-7-18/h2-7,9-10,20H,8,11-15H2,1H3.
What are the key properties of N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide?
N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 21274454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).