3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione

C14H16F2N2O4S — CID 78880606

IUPAC3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O
InChIInChI=1S/C14H16F2N2O4S/c1-2-3-11-12(19)18(14(20)17-11)8-9-4-6-10(7-5-9)23(21,22)13(15)16/h4-7,11,13H,2-3,8H2,1H3,(H,17,20)
InChIKeyCFIBGWZIMUUMPL-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.90
Rot. Bonds6

About 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione

3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 78880606) has the molecular formula C14H16F2N2O4S and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione
PubChem CID78880606
Molecular FormulaC14H16F2N2O4S
Molecular Weight346.36 g/mol
Exact Mass346.08
IUPAC Name3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O
InChIInChI=1S/C14H16F2N2O4S/c1-2-3-11-12(19)18(14(20)17-11)8-9-4-6-10(7-5-9)23(21,22)13(15)16/h4-7,11,13H,2-3,8H2,1H3,(H,17,20)
InChIKeyCFIBGWZIMUUMPL-UHFFFAOYSA-N
XLogP1.90
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.90
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-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione (CID 78880606) is 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2ccc(S(=O)(=O)C(F)F)cc2)C1=O.
What is the InChIKey of 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is CFIBGWZIMUUMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O4S/c1-2-3-11-12(19)18(14(20)17-11)8-9-4-6-10(7-5-9)23(21,22)13(15)16/h4-7,11,13H,2-3,8H2,1H3,(H,17,20).
What are the key properties of 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione?
3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 346.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethylsulfonyl)phenyl]methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 78880606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).