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

C14H10ClN3O4S — CID 10498157

IUPAC3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccn2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4S/c15-10-4-6-11(7-5-10)23(21,22)18-13(19)9-17(14(18)20)12-3-1-2-8-16-12/h1-8H,9H2
InChIKeyPDGAULHTLZNEKY-UHFFFAOYSA-N
MW351.77 g/mol
LogP1.89
Rot. Bonds3

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

3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 10498157) has the molecular formula C14H10ClN3O4S and a molecular weight of 351.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID10498157
Molecular FormulaC14H10ClN3O4S
Molecular Weight351.77 g/mol
Exact Mass351.01
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione
SMILESO=C1CN(c2ccccn2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H10ClN3O4S/c15-10-4-6-11(7-5-10)23(21,22)18-13(19)9-17(14(18)20)12-3-1-2-8-16-12/h1-8H,9H2
InChIKeyPDGAULHTLZNEKY-UHFFFAOYSA-N
XLogP1.89
TPSA87.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione (CID 10498157) is 3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione is O=C1CN(c2ccccn2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is PDGAULHTLZNEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O4S/c15-10-4-6-11(7-5-10)23(21,22)18-13(19)9-17(14(18)20)12-3-1-2-8-16-12/h1-8H,9H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione?
3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 351.77 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 10498157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).