3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole

C20H21ClN2OS — CID 22019440

IUPAC3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole
SMILESClc1ccccc1Sc1c[nH]c2c(OCCN3CCCC3)cccc12
InChIInChI=1S/C20H21ClN2OS/c21-16-7-1-2-9-18(16)25-19-14-22-20-15(19)6-5-8-17(20)24-13-12-23-10-3-4-11-23/h1-2,5-9,14,22H,3-4,10-13H2
InChIKeyFQOSHUWSHDTBAX-UHFFFAOYSA-N
MW372.92 g/mol
LogP5.45
Rot. Bonds6

About 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole

3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole (PubChem CID 22019440) has the molecular formula C20H21ClN2OS and a molecular weight of 372.92 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole
PubChem CID22019440
Molecular FormulaC20H21ClN2OS
Molecular Weight372.92 g/mol
Exact Mass372.11
IUPAC Name3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole
SMILESClc1ccccc1Sc1c[nH]c2c(OCCN3CCCC3)cccc12
InChIInChI=1S/C20H21ClN2OS/c21-16-7-1-2-9-18(16)25-19-14-22-20-15(19)6-5-8-17(20)24-13-12-23-10-3-4-11-23/h1-2,5-9,14,22H,3-4,10-13H2
InChIKeyFQOSHUWSHDTBAX-UHFFFAOYSA-N
XLogP5.45
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.92
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-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 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole (CID 22019440) is 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole is Clc1ccccc1Sc1c[nH]c2c(OCCN3CCCC3)cccc12.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole?
The InChIKey is FQOSHUWSHDTBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2OS/c21-16-7-1-2-9-18(16)25-19-14-22-20-15(19)6-5-8-17(20)24-13-12-23-10-3-4-11-23/h1-2,5-9,14,22H,3-4,10-13H2.
What are the key properties of 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole?
3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole has a molecular weight of 372.92 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-7-(2-pyrrolidin-1-ylethoxy)-1H-indole is sourced from PubChem (CID 22019440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).