(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

C13H15FN2O4S — CID 95589593

IUPAC(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2F)NC(=O)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C13H15FN2O4S/c1-13(9-5-3-4-6-10(9)14)11(17)16(12(18)15-13)7-8-21(2,19)20/h3-6H,7-8H2,1-2H3,(H,15,18)/t13-/m1/s1
InChIKeyYHKPICLIGRGYFI-CYBMUJFWSA-N
MW314.34 g/mol
LogP0.64
Rot. Bonds4

About (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione

(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (PubChem CID 95589593) has the molecular formula C13H15FN2O4S and a molecular weight of 314.34 g/mol. Its IUPAC name is (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
PubChem CID95589593
Molecular FormulaC13H15FN2O4S
Molecular Weight314.34 g/mol
Exact Mass314.07
IUPAC Name(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2F)NC(=O)N(CCS(C)(=O)=O)C1=O
InChIInChI=1S/C13H15FN2O4S/c1-13(9-5-3-4-6-10(9)14)11(17)16(12(18)15-13)7-8-21(2,19)20/h3-6H,7-8H2,1-2H3,(H,15,18)/t13-/m1/s1
InChIKeyYHKPICLIGRGYFI-CYBMUJFWSA-N
XLogP0.64
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 94216458
(5R)-3-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 94821877
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
(5S)-3-[(4-bromophenyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52780588
(5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
CID 51951254
(5S)-5-(2-fluorophenyl)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 94797964
4-[(4S)-4-methyl-1-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 94180306
4-[(4R)-4-methyl-1-(2-methylsulfonylethyl)-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 94180307
(5R)-5-(3-methoxyphenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 94081397
3-[(5-chloro-2-pyridinyl)methyl]-5-(2-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 75524013
4-[[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 94798623
N-cyclopropyl-2-[4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 47082477

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione (CID 95589593) is (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is C[C@]1(c2ccccc2F)NC(=O)N(CCS(C)(=O)=O)C1=O.
What is the InChIKey of (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
The InChIKey is YHKPICLIGRGYFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H15FN2O4S/c1-13(9-5-3-4-6-10(9)14)11(17)16(12(18)15-13)7-8-21(2,19)20/h3-6H,7-8H2,1-2H3,(H,15,18)/t13-/m1/s1.
What are the key properties of (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione?
(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione has a molecular weight of 314.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95589593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).