N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C21H26N2O5S — CID 656021

IUPACN-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O5S/c1-27-17-11-12-19(20(15-17)28-2)23(16-21(24)22-13-7-4-8-14-22)29(25,26)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3
InChIKeyZOVPXEZHVGOLCU-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.91
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 656021) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID656021
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC NameN-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
InChIInChI=1S/C21H26N2O5S/c1-27-17-11-12-19(20(15-17)28-2)23(16-21(24)22-13-7-4-8-14-22)29(25,26)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3
InChIKeyZOVPXEZHVGOLCU-UHFFFAOYSA-N
XLogP2.91
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 656021) is N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is ZOVPXEZHVGOLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-17-11-12-19(20(15-17)28-2)23(16-21(24)22-13-7-4-8-14-22)29(25,26)18-9-5-3-6-10-18/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 418.52 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 656021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).