1-methyl-2,3-bis(methylsulfonyl)indole

C11H13NO4S2 — CID 15113358

IUPAC1-methyl-2,3-bis(methylsulfonyl)indole
SMILESCn1c(S(C)(=O)=O)c(S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C11H13NO4S2/c1-12-9-7-5-4-6-8(9)10(17(2,13)14)11(12)18(3,15)16/h4-7H,1-3H3
InChIKeyGLXTZSKNIYYMAR-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.99
Rot. Bonds2

About 1-methyl-2,3-bis(methylsulfonyl)indole

1-methyl-2,3-bis(methylsulfonyl)indole (PubChem CID 15113358) has the molecular formula C11H13NO4S2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-methyl-2,3-bis(methylsulfonyl)indole.

Molecular Properties

Compound Name1-methyl-2,3-bis(methylsulfonyl)indole
PubChem CID15113358
Molecular FormulaC11H13NO4S2
Molecular Weight287.36 g/mol
Exact Mass287.03
IUPAC Name1-methyl-2,3-bis(methylsulfonyl)indole
SMILESCn1c(S(C)(=O)=O)c(S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C11H13NO4S2/c1-12-9-7-5-4-6-8(9)10(17(2,13)14)11(12)18(3,15)16/h4-7H,1-3H3
InChIKeyGLXTZSKNIYYMAR-UHFFFAOYSA-N
XLogP0.99
TPSA73.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2,3-bis(methylsulfonyl)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 1-methyl-2,3-bis(methylsulfonyl)indole?
The IUPAC name of 1-methyl-2,3-bis(methylsulfonyl)indole (CID 15113358) is 1-methyl-2,3-bis(methylsulfonyl)indole.
What is the SMILES notation for 1-methyl-2,3-bis(methylsulfonyl)indole?
The canonical SMILES for 1-methyl-2,3-bis(methylsulfonyl)indole is Cn1c(S(C)(=O)=O)c(S(C)(=O)=O)c2ccccc21.
What is the InChIKey of 1-methyl-2,3-bis(methylsulfonyl)indole?
The InChIKey is GLXTZSKNIYYMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S2/c1-12-9-7-5-4-6-8(9)10(17(2,13)14)11(12)18(3,15)16/h4-7H,1-3H3.
What are the key properties of 1-methyl-2,3-bis(methylsulfonyl)indole?
1-methyl-2,3-bis(methylsulfonyl)indole has a molecular weight of 287.36 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-bis(methylsulfonyl)indole is sourced from PubChem (CID 15113358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).