4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide

C19H16F3N3O5S — CID 155513385

IUPAC4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H16F3N3O5S/c1-18(12-5-7-14(8-6-12)31(23,29)30)16(27)25(17(28)24-18)10-15(26)11-3-2-4-13(9-11)19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30)
InChIKeyYRFNUNRYCVLHPX-UHFFFAOYSA-N
MW455.41 g/mol
LogP2.00
Rot. Bonds5

About 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide

4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide (PubChem CID 155513385) has the molecular formula C19H16F3N3O5S and a molecular weight of 455.41 g/mol. Its IUPAC name is 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide
PubChem CID155513385
Molecular FormulaC19H16F3N3O5S
Molecular Weight455.41 g/mol
Exact Mass455.08
IUPAC Name4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide
SMILESCC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H16F3N3O5S/c1-18(12-5-7-14(8-6-12)31(23,29)30)16(27)25(17(28)24-18)10-15(26)11-3-2-4-13(9-11)19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30)
InChIKeyYRFNUNRYCVLHPX-UHFFFAOYSA-N
XLogP2.00
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide (CID 155513385) is 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide is CC1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide?
The InChIKey is YRFNUNRYCVLHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O5S/c1-18(12-5-7-14(8-6-12)31(23,29)30)16(27)25(17(28)24-18)10-15(26)11-3-2-4-13(9-11)19(20,21)22/h2-9H,10H2,1H3,(H,24,28)(H2,23,29,30).
What are the key properties of 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide?
4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide has a molecular weight of 455.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2,5-dioxo-1-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]imidazolidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 155513385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).