3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione

C17H16N2O4S — CID 10497621

IUPAC3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C17H16N2O4S/c1-12-8-9-15(10-13(12)2)24(22,23)19-16(20)11-18(17(19)21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyIMXJHAMVFYJETE-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.46
Rot. Bonds3

About 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione

3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (PubChem CID 10497621) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
PubChem CID10497621
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione
SMILESCc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1C
InChIInChI=1S/C17H16N2O4S/c1-12-8-9-15(10-13(12)2)24(22,23)19-16(20)11-18(17(19)21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKeyIMXJHAMVFYJETE-UHFFFAOYSA-N
XLogP2.46
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.46
H-Bond Donors ≤ 50
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 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione (CID 10497621) is 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is Cc1ccc(S(=O)(=O)N2C(=O)CN(c3ccccc3)C2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
The InChIKey is IMXJHAMVFYJETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-12-8-9-15(10-13(12)2)24(22,23)19-16(20)11-18(17(19)21)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione?
3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione has a molecular weight of 344.39 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfonyl-1-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 10497621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).