3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione

C21H15ClN2O5S — CID 10527210

IUPAC3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(Oc3ccccc3)cc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O5S/c22-15-6-12-19(13-7-15)30(27,28)24-20(25)14-23(21(24)26)16-8-10-18(11-9-16)29-17-4-2-1-3-5-17/h1-13H,14H2
InChIKeyLWUMMNLZZYPGQS-UHFFFAOYSA-N
MW442.88 g/mol
LogP4.29
Rot. Bonds5

About 3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione

3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione (PubChem CID 10527210) has the molecular formula C21H15ClN2O5S and a molecular weight of 442.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione
PubChem CID10527210
Molecular FormulaC21H15ClN2O5S
Molecular Weight442.88 g/mol
Exact Mass442.04
IUPAC Name3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione
SMILESO=C1CN(c2ccc(Oc3ccccc3)cc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClN2O5S/c22-15-6-12-19(13-7-15)30(27,28)24-20(25)14-23(21(24)26)16-8-10-18(11-9-16)29-17-4-2-1-3-5-17/h1-13H,14H2
InChIKeyLWUMMNLZZYPGQS-UHFFFAOYSA-N
XLogP4.29
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 54.29
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-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione (CID 10527210) is 3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione is O=C1CN(c2ccc(Oc3ccccc3)cc2)C(=O)N1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione?
The InChIKey is LWUMMNLZZYPGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O5S/c22-15-6-12-19(13-7-15)30(27,28)24-20(25)14-23(21(24)26)16-8-10-18(11-9-16)29-17-4-2-1-3-5-17/h1-13H,14H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione?
3-(4-chlorophenyl)sulfonyl-1-(4-phenoxyphenyl)imidazolidine-2,4-dione has a molecular weight of 442.88 g/mol, XLogP of 4.29, 5 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-(4-phenoxyphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 10527210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).