5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione

C17H16N2O4S — CID 23133519

IUPAC5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)c2ccc(-c3ccccc3)cc2)NC(=O)NC1=O
InChIInChI=1S/C17H16N2O4S/c1-17(15(20)18-16(21)19-17)11-24(22,23)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,18,19,20,21)
InChIKeyOXODQHKWTFTCGC-UHFFFAOYSA-N
MW344.39 g/mol
LogP1.73
Rot. Bonds4

About 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione

5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione (PubChem CID 23133519) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione
PubChem CID23133519
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione
SMILESCC1(CS(=O)(=O)c2ccc(-c3ccccc3)cc2)NC(=O)NC1=O
InChIInChI=1S/C17H16N2O4S/c1-17(15(20)18-16(21)19-17)11-24(22,23)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,18,19,20,21)
InChIKeyOXODQHKWTFTCGC-UHFFFAOYSA-N
XLogP1.73
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 51.73
H-Bond Donors ≤ 52
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 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione (CID 23133519) is 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione is CC1(CS(=O)(=O)c2ccc(-c3ccccc3)cc2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione?
The InChIKey is OXODQHKWTFTCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-17(15(20)18-16(21)19-17)11-24(22,23)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H2,18,19,20,21).
What are the key properties of 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione?
5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione has a molecular weight of 344.39 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[(4-phenylphenyl)sulfonylmethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 23133519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).