1,4-bis(benzenesulfonyl)piperazin-2-one

C16H16N2O5S2 — CID 1214431

IUPAC1,4-bis(benzenesulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O5S2/c19-16-13-17(24(20,21)14-7-3-1-4-8-14)11-12-18(16)25(22,23)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyNRZNFXVCDLOOFY-UHFFFAOYSA-N
MW380.45 g/mol
LogP0.91
Rot. Bonds4

About 1,4-bis(benzenesulfonyl)piperazin-2-one

1,4-bis(benzenesulfonyl)piperazin-2-one (PubChem CID 1214431) has the molecular formula C16H16N2O5S2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1,4-bis(benzenesulfonyl)piperazin-2-one.

Molecular Properties

Compound Name1,4-bis(benzenesulfonyl)piperazin-2-one
PubChem CID1214431
Molecular FormulaC16H16N2O5S2
Molecular Weight380.45 g/mol
Exact Mass380.05
IUPAC Name1,4-bis(benzenesulfonyl)piperazin-2-one
SMILESO=C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H16N2O5S2/c19-16-13-17(24(20,21)14-7-3-1-4-8-14)11-12-18(16)25(22,23)15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyNRZNFXVCDLOOFY-UHFFFAOYSA-N
XLogP0.91
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(benzenesulfonyl)piperazin-2-one?
The IUPAC name of 1,4-bis(benzenesulfonyl)piperazin-2-one (CID 1214431) is 1,4-bis(benzenesulfonyl)piperazin-2-one.
What is the SMILES notation for 1,4-bis(benzenesulfonyl)piperazin-2-one?
The canonical SMILES for 1,4-bis(benzenesulfonyl)piperazin-2-one is O=C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1,4-bis(benzenesulfonyl)piperazin-2-one?
The InChIKey is NRZNFXVCDLOOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O5S2/c19-16-13-17(24(20,21)14-7-3-1-4-8-14)11-12-18(16)25(22,23)15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 1,4-bis(benzenesulfonyl)piperazin-2-one?
1,4-bis(benzenesulfonyl)piperazin-2-one has a molecular weight of 380.45 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(benzenesulfonyl)piperazin-2-one is sourced from PubChem (CID 1214431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).