5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole

C20H12Cl3NS — CID 56683455

IUPAC5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole
SMILESClc1ccc(Sc2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H12Cl3NS/c21-13-3-1-12(2-4-13)19-20(25-16-8-5-14(22)6-9-16)17-11-15(23)7-10-18(17)24-19/h1-11,24H
InChIKeyCCXGURRYYVPGNO-UHFFFAOYSA-N
MW404.75 g/mol
LogP7.95
Rot. Bonds3

About 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole

5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole (PubChem CID 56683455) has the molecular formula C20H12Cl3NS and a molecular weight of 404.75 g/mol. Its IUPAC name is 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole.

Molecular Properties

Compound Name5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole
PubChem CID56683455
Molecular FormulaC20H12Cl3NS
Molecular Weight404.75 g/mol
Exact Mass402.98
IUPAC Name5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole
SMILESClc1ccc(Sc2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H12Cl3NS/c21-13-3-1-12(2-4-13)19-20(25-16-8-5-14(22)6-9-16)17-11-15(23)7-10-18(17)24-19/h1-11,24H
InChIKeyCCXGURRYYVPGNO-UHFFFAOYSA-N
XLogP7.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.75
LogP ≤ 57.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-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 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole?
The IUPAC name of 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole (CID 56683455) is 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole.
What is the SMILES notation for 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole?
The canonical SMILES for 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole is Clc1ccc(Sc2c(-c3ccc(Cl)cc3)[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole?
The InChIKey is CCXGURRYYVPGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3NS/c21-13-3-1-12(2-4-13)19-20(25-16-8-5-14(22)6-9-16)17-11-15(23)7-10-18(17)24-19/h1-11,24H.
What are the key properties of 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole?
5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole has a molecular weight of 404.75 g/mol, XLogP of 7.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanyl-1H-indole is sourced from PubChem (CID 56683455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).