3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole

C20H19F3N2O2S — CID 10272846

IUPAC3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1cc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C20H19F3N2O2S/c21-20(22,23)15-7-9-16(10-8-15)28(26,27)25-13-18(14-4-3-11-24-12-14)17-5-1-2-6-19(17)25/h1-2,5-10,13-14,24H,3-4,11-12H2
InChIKeyIESOOSVTIWWTHP-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.36
Rot. Bonds3

About 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole

3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole (PubChem CID 10272846) has the molecular formula C20H19F3N2O2S and a molecular weight of 408.45 g/mol. Its IUPAC name is 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole.

Molecular Properties

Compound Name3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole
PubChem CID10272846
Molecular FormulaC20H19F3N2O2S
Molecular Weight408.45 g/mol
Exact Mass408.11
IUPAC Name3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)n1cc(C2CCCNC2)c2ccccc21
InChIInChI=1S/C20H19F3N2O2S/c21-20(22,23)15-7-9-16(10-8-15)28(26,27)25-13-18(14-4-3-11-24-12-14)17-5-1-2-6-19(17)25/h1-2,5-10,13-14,24H,3-4,11-12H2
InChIKeyIESOOSVTIWWTHP-UHFFFAOYSA-N
XLogP4.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole 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 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole?
The IUPAC name of 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole (CID 10272846) is 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole.
What is the SMILES notation for 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole?
The canonical SMILES for 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole is O=S(=O)(c1ccc(C(F)(F)F)cc1)n1cc(C2CCCNC2)c2ccccc21.
What is the InChIKey of 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole?
The InChIKey is IESOOSVTIWWTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2S/c21-20(22,23)15-7-9-16(10-8-15)28(26,27)25-13-18(14-4-3-11-24-12-14)17-5-1-2-6-19(17)25/h1-2,5-10,13-14,24H,3-4,11-12H2.
What are the key properties of 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole?
3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole has a molecular weight of 408.45 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-3-yl-1-[4-(trifluoromethyl)phenyl]sulfonylindole is sourced from PubChem (CID 10272846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).