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

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Related Compounds

3-(3,4-dimethoxyphenyl)-2-(4-methylsulfonylphenyl)thiochromen-4-one
CID 142639417
methyl 1-(3,4-dimethoxyphenyl)-9H-carbazole-2-carboxylate
CID 150364727
4-(3,4-dimethoxyphenyl)-5H-pyridazino[4,3-b]indol-3-amine;hydrochloride
CID 6602977
butyl 4-(3,4-dimethoxyphenyl)-2-oxo-1H-quinoline-3-carboxylate
CID 140995779
2-(3,4-dimethoxyphenyl)-3-propyl-1H-indole;ethane
CID 143177705
11-(3,4,5-trimethoxyphenyl)-10H-indolo[3,2-b][1]benzazepin-12-one
CID 146170256
1-methyl-3-(2-methyl-1H-indol-3-yl)-4-[2-(4-methylphenyl)sulfonyl-1H-indol-3-yl]pyrrole-2,5-dione
CID 70195646
[2,3-dimethoxy-5-(2-methyl-1H-indol-3-yl)phenyl]methanamine
CID 39225191
4-(benzenesulfonyl)-2-(3,4-dimethoxyphenyl)-5-piperidin-1-yl-1,3-oxazole
CID 1154497
8,9-dimethoxy-5H-phenanthridin-6-one
CID 12703535
N-[3-methoxy-5-methyl-4-(2-methyl-1H-indol-3-yl)phenyl]-4-methylbenzenesulfonamide
CID 155908097
12-(3,4-dimethoxyphenyl)-11-thia-9,20-diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,9,12,14,16,18-nonaene
CID 177438929

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).