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

C12H16N2O3S — CID 1244064

IUPAC1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H16N2O3S/c1-11(15)13-7-9-14(10-8-13)18(16,17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyZFTXDNBTGFCUDN-UHFFFAOYSA-N
MW268.34 g/mol
LogP0.54
Rot. Bonds2

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

1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone (PubChem CID 1244064) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone
PubChem CID1244064
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C12H16N2O3S/c1-11(15)13-7-9-14(10-8-13)18(16,17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3
InChIKeyZFTXDNBTGFCUDN-UHFFFAOYSA-N
XLogP0.54
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone (CID 1244064) is 1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone?
The InChIKey is ZFTXDNBTGFCUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-11(15)13-7-9-14(10-8-13)18(16,17)12-5-3-2-4-6-12/h2-6H,7-10H2,1H3.
What are the key properties of 1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone?
1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone has a molecular weight of 268.34 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 1244064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).