1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one

C21H21F3N2O3S — CID 91904622

IUPAC1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H21F3N2O3S/c1-2-26-18-6-4-3-5-17(18)20(19(26)27)11-13-25(14-12-20)30(28,29)16-9-7-15(8-10-16)21(22,23)24/h3-10H,2,11-14H2,1H3
InChIKeyUGLQXQCOMUUHOC-UHFFFAOYSA-N
MW438.47 g/mol
LogP3.79
Rot. Bonds3

About 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one

1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 91904622) has the molecular formula C21H21F3N2O3S and a molecular weight of 438.47 g/mol. Its IUPAC name is 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one
PubChem CID91904622
Molecular FormulaC21H21F3N2O3S
Molecular Weight438.47 g/mol
Exact Mass438.12
IUPAC Name1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one
SMILESCCN1C(=O)C2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H21F3N2O3S/c1-2-26-18-6-4-3-5-17(18)20(19(26)27)11-13-25(14-12-20)30(28,29)16-9-7-15(8-10-16)21(22,23)24/h3-10H,2,11-14H2,1H3
InChIKeyUGLQXQCOMUUHOC-UHFFFAOYSA-N
XLogP3.79
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one (CID 91904622) is 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one is CCN1C(=O)C2(CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is UGLQXQCOMUUHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O3S/c1-2-26-18-6-4-3-5-17(18)20(19(26)27)11-13-25(14-12-20)30(28,29)16-9-7-15(8-10-16)21(22,23)24/h3-10H,2,11-14H2,1H3.
What are the key properties of 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one?
1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 438.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1'-[4-(trifluoromethyl)phenyl]sulfonylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 91904622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).