1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

C18H14F4N2O4S — CID 162538041

IUPAC1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14F4N2O4S/c1-17(2)15(25)23(11-8-9-14(19)13(10-11)18(20,21)22)16(26)24(17)29(27,28)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyTVMXTLKZLXAXSV-UHFFFAOYSA-N
MW430.38 g/mol
LogP3.78
Rot. Bonds3

About 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione

1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 162538041) has the molecular formula C18H14F4N2O4S and a molecular weight of 430.38 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID162538041
Molecular FormulaC18H14F4N2O4S
Molecular Weight430.38 g/mol
Exact Mass430.06
IUPAC Name1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H14F4N2O4S/c1-17(2)15(25)23(11-8-9-14(19)13(10-11)18(20,21)22)16(26)24(17)29(27,28)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyTVMXTLKZLXAXSV-UHFFFAOYSA-N
XLogP3.78
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.38
LogP ≤ 53.78
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 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 162538041) is 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is CC1(C)C(=O)N(c2ccc(F)c(C(F)(F)F)c2)C(=O)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is TVMXTLKZLXAXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O4S/c1-17(2)15(25)23(11-8-9-14(19)13(10-11)18(20,21)22)16(26)24(17)29(27,28)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 430.38 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 162538041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).