2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone

C20H24N2O3S — CID 110366810

IUPAC2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-17-8-10-18(11-9-17)20(23)16-21-12-14-22(15-13-21)26(24,25)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3
InChIKeyVNVHWGHZDWOPHR-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.44
Rot. Bonds6

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone

2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone (PubChem CID 110366810) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone
PubChem CID110366810
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone
SMILESCCc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C20H24N2O3S/c1-2-17-8-10-18(11-9-17)20(23)16-21-12-14-22(15-13-21)26(24,25)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3
InChIKeyVNVHWGHZDWOPHR-UHFFFAOYSA-N
XLogP2.44
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylphenyl)ethanone
CID 110366401
1-(4-ethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 110366812
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
CID 110366487
1-(4-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 15997423
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanone
CID 43219356
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-ethylphenyl)acetamide
CID 9104917
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 6466721
[4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 43922265
ethyl 4-[4-[2-(dibenzylamino)-2-oxoethyl]piperazin-1-yl]sulfonylbenzoate
CID 4847165
1-(benzenesulfonyl)-4-[(4-ethylphenyl)methyl]piperazin-4-ium
CID 4743473
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-benzylacetamide
CID 6467232
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-butylacetamide
CID 8743717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone?
The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone (CID 110366810) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone.
What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone?
The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone is CCc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone?
The InChIKey is VNVHWGHZDWOPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-2-17-8-10-18(11-9-17)20(23)16-21-12-14-22(15-13-21)26(24,25)19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3.
What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone?
2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone has a molecular weight of 372.49 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-(4-ethylphenyl)ethanone is sourced from PubChem (CID 110366810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).