3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione

C15H19FN2O4S — CID 47561287

IUPAC3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCS(=O)(=O)Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H19FN2O4S/c1-15(2)13(19)18(14(20)17-15)8-3-9-23(21,22)10-11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyKMZQJAQIKDHCOC-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.46
Rot. Bonds6

About 3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 47561287) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID47561287
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CCCS(=O)(=O)Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C15H19FN2O4S/c1-15(2)13(19)18(14(20)17-15)8-3-9-23(21,22)10-11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,20)
InChIKeyKMZQJAQIKDHCOC-UHFFFAOYSA-N
XLogP1.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.46
H-Bond Donors ≤ 51
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-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 47561287) is 3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)NC(=O)N(CCCS(=O)(=O)Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is KMZQJAQIKDHCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-15(2)13(19)18(14(20)17-15)8-3-9-23(21,22)10-11-4-6-12(16)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,17,20).
What are the key properties of 3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 342.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)methylsulfonyl]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 47561287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).