5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione

C23H23F3N2O4S — CID 176612031

About 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione

5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 176612031) has the molecular formula C23H23F3N2O4S and a molecular weight of 480.51 g/mol. Its IUPAC name is 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 176612031
• Molecular Formula: C23H23F3N2O4S
• Molecular Weight: 480.51 g/mol
• Exact Mass: 480.13
• IUPAC Name: 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione
• SMILES: CCc1ccc(S(=O)(=O)C2CCCc3cc(C(F)(F)F)ccc32)cc1C1(C)NC(=O)NC1=O
• InChI: InChI=1S/C23H23F3N2O4S/c1-3-13-7-9-16(12-18(13)22(2)20(29)27-21(30)28-22)33(31,32)19-6-4-5-14-11-15(23(24,25)26)8-10-17(14)19/h7-12,19H,3-6H2,1-2H3,(H2,27,28,29,30)
• InChIKey: SGSNXVZJQNXOIN-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 92.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.51
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 176612031) is 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione is CCc1ccc(S(=O)(=O)C2CCCc3cc(C(F)(F)F)ccc32)cc1C1(C)NC(=O)NC1=O.

What is the InChIKey of 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is SGSNXVZJQNXOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O4S/c1-3-13-7-9-16(12-18(13)22(2)20(29)27-21(30)28-22)33(31,32)19-6-4-5-14-11-15(23(24,25)26)8-10-17(14)19/h7-12,19H,3-6H2,1-2H3,(H2,27,28,29,30).

What are the key properties of 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione?

5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 480.51 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-ethyl-5-[[6-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 176612031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).