N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide

C21H34N4O5S2 — CID 24525790

IUPACN,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C21H34N4O5S2/c1-3-24(4-2)31(27,28)19-8-10-20(11-9-19)32(29,30)25-16-14-22(15-17-25)18-21(26)23-12-6-5-7-13-23/h8-11H,3-7,12-18H2,1-2H3
InChIKeyJFWGNCOKPKLGPU-UHFFFAOYSA-N
MW486.66 g/mol
LogP1.04
Rot. Bonds8

About N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide

N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide (PubChem CID 24525790) has the molecular formula C21H34N4O5S2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide
PubChem CID24525790
Molecular FormulaC21H34N4O5S2
Molecular Weight486.66 g/mol
Exact Mass486.20
IUPAC NameN,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1
InChIInChI=1S/C21H34N4O5S2/c1-3-24(4-2)31(27,28)19-8-10-20(11-9-19)32(29,30)25-16-14-22(15-17-25)18-21(26)23-12-6-5-7-13-23/h8-11H,3-7,12-18H2,1-2H3
InChIKeyJFWGNCOKPKLGPU-UHFFFAOYSA-N
XLogP1.04
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-piperidin-1-ylethanone
CID 24525788
2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 71902944
N,N-diethyl-4-[3-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzenesulfonamide
CID 168832180
N-[4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylphenyl]prop-2-enamide
CID 67196353
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]sulfonylbenzenesulfonamide
CID 55512311
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 112799963
4-[(1S)-1-[[2-(azepan-1-yl)-2-oxoethyl]amino]ethyl]-N,N-diethylbenzenesulfonamide
CID 8643973
N-[[4-(diethylsulfamoyl)phenyl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 24549133
1-(azocan-1-yl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8693911
N,N-diethyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 631492
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 8742937

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide (CID 24525790) is N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
The InChIKey is JFWGNCOKPKLGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O5S2/c1-3-24(4-2)31(27,28)19-8-10-20(11-9-19)32(29,30)25-16-14-22(15-17-25)18-21(26)23-12-6-5-7-13-23/h8-11H,3-7,12-18H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide?
N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide has a molecular weight of 486.66 g/mol, XLogP of 1.04, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 24525790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).