5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione

C21H20F3N3O5S — CID 47075418

IUPAC5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C21H20F3N3O5S/c1-20(18(28)25-19(29)26-20)15-11-14(6-8-17(15)32-2)33(30,31)27-9-3-4-12-10-13(21(22,23)24)5-7-16(12)27/h5-8,10-11H,3-4,9H2,1-2H3,(H2,25,26,28,29)
InChIKeyUKZSZTWLZODCPB-UHFFFAOYSA-N
MW483.47 g/mol
LogP2.91
Rot. Bonds4

About 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione

5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 47075418) has the molecular formula C21H20F3N3O5S and a molecular weight of 483.47 g/mol. Its IUPAC name is 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID47075418
Molecular FormulaC21H20F3N3O5S
Molecular Weight483.47 g/mol
Exact Mass483.11
IUPAC Name5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccc(S(=O)(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc1C1(C)NC(=O)NC1=O
InChIInChI=1S/C21H20F3N3O5S/c1-20(18(28)25-19(29)26-20)15-11-14(6-8-17(15)32-2)33(30,31)27-9-3-4-12-10-13(21(22,23)24)5-7-16(12)27/h5-8,10-11H,3-4,9H2,1-2H3,(H2,25,26,28,29)
InChIKeyUKZSZTWLZODCPB-UHFFFAOYSA-N
XLogP2.91
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione
CID 176612031
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-6-methoxy-3,4-dihydro-2H-quinoline
CID 18125897
(5R)-5-[5-[(3R)-3-[ethyl(methyl)amino]pyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione
CID 99799656
1-(3-bromo-4-methoxyphenyl)sulfonyl-6-methyl-3,4-dihydro-2H-quinoline
CID 31324854
6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 123371401
4-(3,4-dimethoxyphenyl)sulfonyl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine
CID 71847833
1-(benzenesulfonyl)-5-[2-methoxy-4-(trifluoromethyl)phenyl]-2,3-dihydroindole
CID 141206222
5-(5-fluoro-2-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82129747
5-[5-[(3S,4S)-3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]sulfonyl-2-methoxyphenyl]-5-methylimidazolidine-2,4-dione
CID 129001398
4-methoxy-N-methyl-3-(4-methyl-2,5-dioxoimidazolidin-4-yl)-N-piperidin-4-ylbenzenesulfonamide
CID 119966018
5-[(5-methoxy-2,3-dihydroindol-1-yl)sulfonyl]-3,3-dimethyl-1H-indol-2-one
CID 126793094
acetamide;acetylene;1,1,1,3,3,3-hexafluoro-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]propan-2-ol
CID 144805036

Frequently Asked Questions

What is the IUPAC name of 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 47075418) is 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione is COc1ccc(S(=O)(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc1C1(C)NC(=O)NC1=O.
What is the InChIKey of 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is UKZSZTWLZODCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O5S/c1-20(18(28)25-19(29)26-20)15-11-14(6-8-17(15)32-2)33(30,31)27-9-3-4-12-10-13(21(22,23)24)5-7-16(12)27/h5-8,10-11H,3-4,9H2,1-2H3,(H2,25,26,28,29).
What are the key properties of 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione?
5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 483.47 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methoxy-5-[[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 47075418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).