1,4-bis(benzenesulfonyl)piperazine-2,5-dione

C16H14N2O6S2 — CID 12037467

IUPAC1,4-bis(benzenesulfonyl)piperazine-2,5-dione
SMILESO=C1CN(S(=O)(=O)c2ccccc2)C(=O)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O6S2/c19-15-12-18(26(23,24)14-9-5-2-6-10-14)16(20)11-17(15)25(21,22)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyNHASEHCTEAENPG-UHFFFAOYSA-N
MW394.43 g/mol
LogP0.44
Rot. Bonds4

About 1,4-bis(benzenesulfonyl)piperazine-2,5-dione

1,4-bis(benzenesulfonyl)piperazine-2,5-dione (PubChem CID 12037467) has the molecular formula C16H14N2O6S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1,4-bis(benzenesulfonyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis(benzenesulfonyl)piperazine-2,5-dione
PubChem CID12037467
Molecular FormulaC16H14N2O6S2
Molecular Weight394.43 g/mol
Exact Mass394.03
IUPAC Name1,4-bis(benzenesulfonyl)piperazine-2,5-dione
SMILESO=C1CN(S(=O)(=O)c2ccccc2)C(=O)CN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14N2O6S2/c19-15-12-18(26(23,24)14-9-5-2-6-10-14)16(20)11-17(15)25(21,22)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyNHASEHCTEAENPG-UHFFFAOYSA-N
XLogP0.44
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(benzenesulfonyl)piperazine-2,5-dione?
The IUPAC name of 1,4-bis(benzenesulfonyl)piperazine-2,5-dione (CID 12037467) is 1,4-bis(benzenesulfonyl)piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis(benzenesulfonyl)piperazine-2,5-dione?
The canonical SMILES for 1,4-bis(benzenesulfonyl)piperazine-2,5-dione is O=C1CN(S(=O)(=O)c2ccccc2)C(=O)CN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1,4-bis(benzenesulfonyl)piperazine-2,5-dione?
The InChIKey is NHASEHCTEAENPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O6S2/c19-15-12-18(26(23,24)14-9-5-2-6-10-14)16(20)11-17(15)25(21,22)13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 1,4-bis(benzenesulfonyl)piperazine-2,5-dione?
1,4-bis(benzenesulfonyl)piperazine-2,5-dione has a molecular weight of 394.43 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(benzenesulfonyl)piperazine-2,5-dione is sourced from PubChem (CID 12037467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).