2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone

C21H26N2O3S — CID 110366401

IUPAC2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-18-6-10-20(11-7-18)27(25,26)23-14-12-22(13-15-23)16-21(24)19-8-4-17(2)5-9-19/h4-11H,3,12-16H2,1-2H3
InChIKeyNDIJFHMGOVQUHB-UHFFFAOYSA-N
MW386.52 g/mol
LogP2.75
Rot. Bonds6

About 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone

2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone (PubChem CID 110366401) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone
PubChem CID110366401
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone
SMILESCCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C21H26N2O3S/c1-3-18-6-10-20(11-7-18)27(25,26)23-14-12-22(13-15-23)16-21(24)19-8-4-17(2)5-9-19/h4-11H,3,12-16H2,1-2H3
InChIKeyNDIJFHMGOVQUHB-UHFFFAOYSA-N
XLogP2.75
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110366812
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone
CID 110366810
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8742873
[2-(4-ethylphenyl)-2-oxoethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 41150938
3,3-dimethyl-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butan-2-one
CID 110709795
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
1-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 110659139
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-propylacetamide
CID 31341519
N-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 8747486
N-(4-acetylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 22197196
2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 26575757

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone (CID 110366401) is 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone is CCc1ccc(S(=O)(=O)N2CCN(CC(=O)c3ccc(C)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone?
The InChIKey is NDIJFHMGOVQUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-3-18-6-10-20(11-7-18)27(25,26)23-14-12-22(13-15-23)16-21(24)19-8-4-17(2)5-9-19/h4-11H,3,12-16H2,1-2H3.
What are the key properties of 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone?
2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone has a molecular weight of 386.52 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 110366401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).