3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione

C13H9ClN4O4S — CID 10641754

IUPAC3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione
SMILESO=C1CN(c2ncccn2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN4O4S/c14-9-2-4-10(5-3-9)23(21,22)18-11(19)8-17(13(18)20)12-15-6-1-7-16-12/h1-7H,8H2
InChIKeyKQOJOTUMFCKKLZ-UHFFFAOYSA-N
MW352.76 g/mol
LogP1.29
Rot. Bonds3

About 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione

3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione (PubChem CID 10641754) has the molecular formula C13H9ClN4O4S and a molecular weight of 352.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione
PubChem CID10641754
Molecular FormulaC13H9ClN4O4S
Molecular Weight352.76 g/mol
Exact Mass352.00
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione
SMILESO=C1CN(c2ncccn2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClN4O4S/c14-9-2-4-10(5-3-9)23(21,22)18-11(19)8-17(13(18)20)12-15-6-1-7-16-12/h1-7H,8H2
InChIKeyKQOJOTUMFCKKLZ-UHFFFAOYSA-N
XLogP1.29
TPSA100.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.76
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione (CID 10641754) is 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione is O=C1CN(c2ncccn2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione?
The InChIKey is KQOJOTUMFCKKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN4O4S/c14-9-2-4-10(5-3-9)23(21,22)18-11(19)8-17(13(18)20)12-15-6-1-7-16-12/h1-7H,8H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione?
3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione has a molecular weight of 352.76 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-pyrimidin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 10641754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).