1-methyl-2-(4-methylphenyl)sulfonylindole

C16H15NO2S — CID 155569116

IUPAC1-methyl-2-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C16H15NO2S/c1-12-7-9-14(10-8-12)20(18,19)16-11-13-5-3-4-6-15(13)17(16)2/h3-11H,1-2H3
InChIKeyQWVYIJSFJNYATI-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.32
Rot. Bonds2

About 1-methyl-2-(4-methylphenyl)sulfonylindole

1-methyl-2-(4-methylphenyl)sulfonylindole (PubChem CID 155569116) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-methyl-2-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name1-methyl-2-(4-methylphenyl)sulfonylindole
PubChem CID155569116
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name1-methyl-2-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)c2cc3ccccc3n2C)cc1
InChIInChI=1S/C16H15NO2S/c1-12-7-9-14(10-8-12)20(18,19)16-11-13-5-3-4-6-15(13)17(16)2/h3-11H,1-2H3
InChIKeyQWVYIJSFJNYATI-UHFFFAOYSA-N
XLogP3.32
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylphenyl)sulfonylindole?
The IUPAC name of 1-methyl-2-(4-methylphenyl)sulfonylindole (CID 155569116) is 1-methyl-2-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 1-methyl-2-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 1-methyl-2-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)c2cc3ccccc3n2C)cc1.
What is the InChIKey of 1-methyl-2-(4-methylphenyl)sulfonylindole?
The InChIKey is QWVYIJSFJNYATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-12-7-9-14(10-8-12)20(18,19)16-11-13-5-3-4-6-15(13)17(16)2/h3-11H,1-2H3.
What are the key properties of 1-methyl-2-(4-methylphenyl)sulfonylindole?
1-methyl-2-(4-methylphenyl)sulfonylindole has a molecular weight of 285.37 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 155569116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).