N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

C18H22N4O3S — CID 2964893

IUPACN-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N4O3S/c1-20(26(24,25)16-7-3-2-4-8-16)15-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h2-10H,11-15H2,1H3
InChIKeyMPKRKRDSVIXPEN-UHFFFAOYSA-N
MW374.47 g/mol
LogP1.05
Rot. Bonds5

About N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 2964893) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID2964893
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H22N4O3S/c1-20(26(24,25)16-7-3-2-4-8-16)15-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h2-10H,11-15H2,1H3
InChIKeyMPKRKRDSVIXPEN-UHFFFAOYSA-N
XLogP1.05
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 2964893) is N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is MPKRKRDSVIXPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-20(26(24,25)16-7-3-2-4-8-16)15-18(23)22-13-11-21(12-14-22)17-9-5-6-10-19-17/h2-10H,11-15H2,1H3.
What are the key properties of N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 374.47 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 2964893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).