1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione

C12H11ClN2O5S — CID 47021900

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H11ClN2O5S/c1-14-10(16)11(17)15(12(14)18)6-7-21(19,20)9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3
InChIKeyYXYGOVVCABOYID-UHFFFAOYSA-N
MW330.75 g/mol
LogP0.53
Rot. Bonds4

About 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione

1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione (PubChem CID 47021900) has the molecular formula C12H11ClN2O5S and a molecular weight of 330.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione
PubChem CID47021900
Molecular FormulaC12H11ClN2O5S
Molecular Weight330.75 g/mol
Exact Mass330.01
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C12H11ClN2O5S/c1-14-10(16)11(17)15(12(14)18)6-7-21(19,20)9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3
InChIKeyYXYGOVVCABOYID-UHFFFAOYSA-N
XLogP0.53
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione (CID 47021900) is 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(CCS(=O)(=O)c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione?
The InChIKey is YXYGOVVCABOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5S/c1-14-10(16)11(17)15(12(14)18)6-7-21(19,20)9-4-2-8(13)3-5-9/h2-5H,6-7H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione?
1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione has a molecular weight of 330.75 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]-3-methylimidazolidine-2,4,5-trione is sourced from PubChem (CID 47021900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).