(5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

C19H17F3N2O4S — CID 51951254

IUPAC(5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C19H17F3N2O4S/c1-18(14-9-5-6-10-15(14)19(20,21)22)16(25)24(17(26)23-18)11-12-29(27,28)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyCYYUFCGYFKPEHE-GOSISDBHSA-N
MW426.42 g/mol
LogP2.95
Rot. Bonds5

About (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione

(5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (PubChem CID 51951254) has the molecular formula C19H17F3N2O4S and a molecular weight of 426.42 g/mol. Its IUPAC name is (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
PubChem CID51951254
Molecular FormulaC19H17F3N2O4S
Molecular Weight426.42 g/mol
Exact Mass426.09
IUPAC Name(5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione
SMILESC[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O
InChIInChI=1S/C19H17F3N2O4S/c1-18(14-9-5-6-10-15(14)19(20,21)22)16(25)24(17(26)23-18)11-12-29(27,28)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,23,26)/t18-/m1/s1
InChIKeyCYYUFCGYFKPEHE-GOSISDBHSA-N
XLogP2.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.42
LogP ≤ 52.95
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

(5R)-5-(2-fluorophenyl)-5-methyl-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 95589593
N-tert-butyl-2-[(4S)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951283
N-(3-ethylphenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-[2-(trifluoromethyl)phenyl]imidazolidin-1-yl]acetamide
CID 51951293
phenyl 2-[4-(2-chloro-4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]ethanesulfonate
CID 56519738
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
3-[(4R)-4-(2-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]propanamide
CID 94216458
5-methyl-3-[3-(3-methylphenyl)sulfonylpropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 139004992
phenyl 2-[4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]ethanesulfonate
CID 46796670
3-(2-ethylsulfonylethyl)-5-(2-methoxy-5-methylphenyl)-5-methylimidazolidine-2,4-dione
CID 71915457
(5S)-5-(2-fluorophenyl)-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 94815323
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetonitrile
CID 2691195
3-ethyl-5-methyl-5-naphthalen-1-ylimidazolidine-2,4-dione
CID 42915150

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione (CID 51951254) is (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(CCS(=O)(=O)c2ccccc2)C1=O.
What is the InChIKey of (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
The InChIKey is CYYUFCGYFKPEHE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H17F3N2O4S/c1-18(14-9-5-6-10-15(14)19(20,21)22)16(25)24(17(26)23-18)11-12-29(27,28)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,23,26)/t18-/m1/s1.
What are the key properties of (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione?
(5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione has a molecular weight of 426.42 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[2-(benzenesulfonyl)ethyl]-5-methyl-5-[2-(trifluoromethyl)phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 51951254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).