2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole

C22H19NO4S — CID 69375185

IUPAC2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2c(S(=O)(=O)c3ccccc3)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C22H19NO4S/c1-26-19-13-12-15(14-20(19)27-2)21-17-10-6-7-11-18(17)23-22(21)28(24,25)16-8-4-3-5-9-16/h3-14,23H,1-2H3
InChIKeyWEHJORZKUYQOKC-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.68
Rot. Bonds5

About 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole

2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole (PubChem CID 69375185) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole
PubChem CID69375185
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole
SMILESCOc1ccc(-c2c(S(=O)(=O)c3ccccc3)[nH]c3ccccc23)cc1OC
InChIInChI=1S/C22H19NO4S/c1-26-19-13-12-15(14-20(19)27-2)21-17-10-6-7-11-18(17)23-22(21)28(24,25)16-8-4-3-5-9-16/h3-14,23H,1-2H3
InChIKeyWEHJORZKUYQOKC-UHFFFAOYSA-N
XLogP4.68
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-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-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole?
The IUPAC name of 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole (CID 69375185) is 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole?
The canonical SMILES for 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole is COc1ccc(-c2c(S(=O)(=O)c3ccccc3)[nH]c3ccccc23)cc1OC.
What is the InChIKey of 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole?
The InChIKey is WEHJORZKUYQOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-26-19-13-12-15(14-20(19)27-2)21-17-10-6-7-11-18(17)23-22(21)28(24,25)16-8-4-3-5-9-16/h3-14,23H,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole?
2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole has a molecular weight of 393.46 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(3,4-dimethoxyphenyl)-1H-indole is sourced from PubChem (CID 69375185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).