2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole

C18H16F3NO2S — CID 58559665

IUPAC2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole
SMILESCc1c(CS(=O)c2cc3ccccc3[nH]2)cccc1OCC(F)(F)F
InChIInChI=1S/C18H16F3NO2S/c1-12-14(6-4-8-16(12)24-11-18(19,20)21)10-25(23)17-9-13-5-2-3-7-15(13)22-17/h2-9,22H,10-11H2,1H3
InChIKeyWTZAROPNMAYWNH-UHFFFAOYSA-N
MW367.39 g/mol
LogP4.73
Rot. Bonds5

About 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole

2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole (PubChem CID 58559665) has the molecular formula C18H16F3NO2S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole.

Molecular Properties

Compound Name2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole
PubChem CID58559665
Molecular FormulaC18H16F3NO2S
Molecular Weight367.39 g/mol
Exact Mass367.09
IUPAC Name2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole
SMILESCc1c(CS(=O)c2cc3ccccc3[nH]2)cccc1OCC(F)(F)F
InChIInChI=1S/C18H16F3NO2S/c1-12-14(6-4-8-16(12)24-11-18(19,20)21)10-25(23)17-9-13-5-2-3-7-15(13)22-17/h2-9,22H,10-11H2,1H3
InChIKeyWTZAROPNMAYWNH-UHFFFAOYSA-N
XLogP4.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole 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 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole?
The IUPAC name of 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole (CID 58559665) is 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole.
What is the SMILES notation for 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole?
The canonical SMILES for 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole is Cc1c(CS(=O)c2cc3ccccc3[nH]2)cccc1OCC(F)(F)F.
What is the InChIKey of 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole?
The InChIKey is WTZAROPNMAYWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2S/c1-12-14(6-4-8-16(12)24-11-18(19,20)21)10-25(23)17-9-13-5-2-3-7-15(13)22-17/h2-9,22H,10-11H2,1H3.
What are the key properties of 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole?
2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole has a molecular weight of 367.39 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methyl-3-(2,2,2-trifluoroethoxy)phenyl]methylsulfinyl]-1H-indole is sourced from PubChem (CID 58559665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).