1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione

C13H9ClN2O4S — CID 14156180

IUPAC1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione
SMILESO=C1CN(S(=O)(=O)c2cccc3c(Cl)cccc23)C(=O)N1
InChIInChI=1S/C13H9ClN2O4S/c14-10-5-1-4-9-8(10)3-2-6-11(9)21(19,20)16-7-12(17)15-13(16)18/h1-6H,7H2,(H,15,17,18)
InChIKeyGSXYJNYJROKCIA-UHFFFAOYSA-N
MW324.75 g/mol
LogP1.73
Rot. Bonds2

About 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione

1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione (PubChem CID 14156180) has the molecular formula C13H9ClN2O4S and a molecular weight of 324.75 g/mol. Its IUPAC name is 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione
PubChem CID14156180
Molecular FormulaC13H9ClN2O4S
Molecular Weight324.75 g/mol
Exact Mass324.00
IUPAC Name1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione
SMILESO=C1CN(S(=O)(=O)c2cccc3c(Cl)cccc23)C(=O)N1
InChIInChI=1S/C13H9ClN2O4S/c14-10-5-1-4-9-8(10)3-2-6-11(9)21(19,20)16-7-12(17)15-13(16)18/h1-6H,7H2,(H,15,17,18)
InChIKeyGSXYJNYJROKCIA-UHFFFAOYSA-N
XLogP1.73
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione?
The IUPAC name of 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione (CID 14156180) is 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione?
The canonical SMILES for 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione is O=C1CN(S(=O)(=O)c2cccc3c(Cl)cccc23)C(=O)N1.
What is the InChIKey of 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione?
The InChIKey is GSXYJNYJROKCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4S/c14-10-5-1-4-9-8(10)3-2-6-11(9)21(19,20)16-7-12(17)15-13(16)18/h1-6H,7H2,(H,15,17,18).
What are the key properties of 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione?
1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione has a molecular weight of 324.75 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloronaphthalen-1-yl)sulfonylimidazolidine-2,4-dione is sourced from PubChem (CID 14156180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).