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

C28H25F5N2O6S2 — CID 58171757

IUPAC1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-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)N1Cc1ccc(F)cc1CS(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C28H25F5N2O6S2/c1-27(2)25(36)35(21-8-11-24(30)23(13-21)28(31,32)33)26(37)34(27)14-18-6-7-20(29)12-19(18)16-43(40,41)15-17-4-9-22(10-5-17)42(3,38)39/h4-13H,14-16H2,1-3H3
InChIKeyXLHBLDJHKZDADF-UHFFFAOYSA-N
MW644.64 g/mol
LogP5.25
Rot. Bonds8

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

1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 58171757) has the molecular formula C28H25F5N2O6S2 and a molecular weight of 644.64 g/mol. Its IUPAC name is 1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID58171757
Molecular FormulaC28H25F5N2O6S2
Molecular Weight644.64 g/mol
Exact Mass644.11
IUPAC Name1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-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)N1Cc1ccc(F)cc1CS(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C28H25F5N2O6S2/c1-27(2)25(36)35(21-8-11-24(30)23(13-21)28(31,32)33)26(37)34(27)14-18-6-7-20(29)12-19(18)16-43(40,41)15-17-4-9-22(10-5-17)42(3,38)39/h4-13H,14-16H2,1-3H3
InChIKeyXLHBLDJHKZDADF-UHFFFAOYSA-N
XLogP5.25
TPSA108.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.64
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione (CID 58171757) is 1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-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)N1Cc1ccc(F)cc1CS(=O)(=O)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is XLHBLDJHKZDADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F5N2O6S2/c1-27(2)25(36)35(21-8-11-24(30)23(13-21)28(31,32)33)26(37)34(27)14-18-6-7-20(29)12-19(18)16-43(40,41)15-17-4-9-22(10-5-17)42(3,38)39/h4-13H,14-16H2,1-3H3.
What are the key properties of 1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione?
1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 644.64 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-fluoro-2-[(4-methylsulfonylphenyl)methylsulfonylmethyl]phenyl]methyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 58171757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).