4-naphthalen-1-ylsulfonylpiperazine-2,6-dione

C14H12N2O4S — CID 114795554

IUPAC4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2cccc3ccccc23)CC(=O)N1
InChIInChI=1S/C14H12N2O4S/c17-13-8-16(9-14(18)15-13)21(19,20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,17,18)
InChIKeyRAAWFHXNLZIGDS-UHFFFAOYSA-N
MW304.33 g/mol
LogP0.49
Rot. Bonds2

About 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione

4-naphthalen-1-ylsulfonylpiperazine-2,6-dione (PubChem CID 114795554) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
PubChem CID114795554
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC Name4-naphthalen-1-ylsulfonylpiperazine-2,6-dione
SMILESO=C1CN(S(=O)(=O)c2cccc3ccccc23)CC(=O)N1
InChIInChI=1S/C14H12N2O4S/c17-13-8-16(9-14(18)15-13)21(19,20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,17,18)
InChIKeyRAAWFHXNLZIGDS-UHFFFAOYSA-N
XLogP0.49
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione?
The IUPAC name of 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione (CID 114795554) is 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione.
What is the SMILES notation for 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione?
The canonical SMILES for 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione is O=C1CN(S(=O)(=O)c2cccc3ccccc23)CC(=O)N1.
What is the InChIKey of 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione?
The InChIKey is RAAWFHXNLZIGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c17-13-8-16(9-14(18)15-13)21(19,20)12-7-3-5-10-4-1-2-6-11(10)12/h1-7H,8-9H2,(H,15,17,18).
What are the key properties of 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione?
4-naphthalen-1-ylsulfonylpiperazine-2,6-dione has a molecular weight of 304.33 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-ylsulfonylpiperazine-2,6-dione is sourced from PubChem (CID 114795554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).