6-methylsulfonyl-1H-indole

C9H9NO2S — CID 2761067

IUPAC6-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C9H9NO2S/c1-13(11,12)8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3
InChIKeyCGPAQJHSHAIUQG-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.57
Rot. Bonds1

About 6-methylsulfonyl-1H-indole

6-methylsulfonyl-1H-indole (PubChem CID 2761067) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 6-methylsulfonyl-1H-indole.

Molecular Properties

Compound Name6-methylsulfonyl-1H-indole
PubChem CID2761067
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name6-methylsulfonyl-1H-indole
SMILESCS(=O)(=O)c1ccc2cc[nH]c2c1
InChIInChI=1S/C9H9NO2S/c1-13(11,12)8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3
InChIKeyCGPAQJHSHAIUQG-UHFFFAOYSA-N
XLogP1.57
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-methylsulfonyl-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 6-methylsulfonyl-1H-indole?
The IUPAC name of 6-methylsulfonyl-1H-indole (CID 2761067) is 6-methylsulfonyl-1H-indole.
What is the SMILES notation for 6-methylsulfonyl-1H-indole?
The canonical SMILES for 6-methylsulfonyl-1H-indole is CS(=O)(=O)c1ccc2cc[nH]c2c1.
What is the InChIKey of 6-methylsulfonyl-1H-indole?
The InChIKey is CGPAQJHSHAIUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-13(11,12)8-3-2-7-4-5-10-9(7)6-8/h2-6,10H,1H3.
What are the key properties of 6-methylsulfonyl-1H-indole?
6-methylsulfonyl-1H-indole has a molecular weight of 195.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-1H-indole is sourced from PubChem (CID 2761067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).