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

C21H15Cl2NO2S — CID 22285776

IUPAC5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H15Cl2NO2S/c1-27(25,26)17-8-5-13(6-9-17)21-20(14-3-2-4-15(22)11-14)18-12-16(23)7-10-19(18)24-21/h2-12,24H,1H3
InChIKeyFSGCXUHPVWVPFS-UHFFFAOYSA-N
MW416.33 g/mol
LogP6.21
Rot. Bonds3

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

5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole (PubChem CID 22285776) has the molecular formula C21H15Cl2NO2S and a molecular weight of 416.33 g/mol. Its IUPAC name is 5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole.

Molecular Properties

Compound Name5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole
PubChem CID22285776
Molecular FormulaC21H15Cl2NO2S
Molecular Weight416.33 g/mol
Exact Mass415.02
IUPAC Name5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C21H15Cl2NO2S/c1-27(25,26)17-8-5-13(6-9-17)21-20(14-3-2-4-15(22)11-14)18-12-16(23)7-10-19(18)24-21/h2-12,24H,1H3
InChIKeyFSGCXUHPVWVPFS-UHFFFAOYSA-N
XLogP6.21
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.33
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-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-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole?
The IUPAC name of 5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole (CID 22285776) is 5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole.
What is the SMILES notation for 5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole?
The canonical SMILES for 5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole is CS(=O)(=O)c1ccc(-c2[nH]c3ccc(Cl)cc3c2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole?
The InChIKey is FSGCXUHPVWVPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2NO2S/c1-27(25,26)17-8-5-13(6-9-17)21-20(14-3-2-4-15(22)11-14)18-12-16(23)7-10-19(18)24-21/h2-12,24H,1H3.
What are the key properties of 5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole?
5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole has a molecular weight of 416.33 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-chlorophenyl)-2-(4-methylsulfonylphenyl)-1H-indole is sourced from PubChem (CID 22285776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).