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

C18H24N4O3S — CID 3082653

IUPACN-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(O)CN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)20-16-4-2-15(3-5-16)18(23)14-21-10-12-22(13-11-21)17-6-8-19-9-7-17/h2-9,18,20,23H,10-14H2,1H3
InChIKeyMXVFGNOLZDAKQJ-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.31
Rot. Bonds6

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

N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide (PubChem CID 3082653) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
PubChem CID3082653
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(O)CN2CCN(c3ccncc3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-26(24,25)20-16-4-2-15(3-5-16)18(23)14-21-10-12-22(13-11-21)17-6-8-19-9-7-17/h2-9,18,20,23H,10-14H2,1H3
InChIKeyMXVFGNOLZDAKQJ-UHFFFAOYSA-N
XLogP1.31
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide (CID 3082653) is N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(O)CN2CCN(c3ccncc3)CC2)cc1.
What is the InChIKey of N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide?
The InChIKey is MXVFGNOLZDAKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-26(24,25)20-16-4-2-15(3-5-16)18(23)14-21-10-12-22(13-11-21)17-6-8-19-9-7-17/h2-9,18,20,23H,10-14H2,1H3.
What are the key properties of N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide?
N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide has a molecular weight of 376.48 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 3082653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).