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

C16H15NO2S — CID 14567400

IUPAC6-methyl-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3ccc(C)cc32)cc1
InChIInChI=1S/C16H15NO2S/c1-12-4-7-15(8-5-12)20(18,19)17-10-9-14-6-3-13(2)11-16(14)17/h3-11H,1-2H3
InChIKeyLGFPGAFPAVSZSW-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.50
Rot. Bonds2

About 6-methyl-1-(4-methylphenyl)sulfonylindole

6-methyl-1-(4-methylphenyl)sulfonylindole (PubChem CID 14567400) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 6-methyl-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name6-methyl-1-(4-methylphenyl)sulfonylindole
PubChem CID14567400
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name6-methyl-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2ccc3ccc(C)cc32)cc1
InChIInChI=1S/C16H15NO2S/c1-12-4-7-15(8-5-12)20(18,19)17-10-9-14-6-3-13(2)11-16(14)17/h3-11H,1-2H3
InChIKeyLGFPGAFPAVSZSW-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 6-methyl-1-(4-methylphenyl)sulfonylindole (CID 14567400) is 6-methyl-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 6-methyl-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 6-methyl-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2ccc3ccc(C)cc32)cc1.
What is the InChIKey of 6-methyl-1-(4-methylphenyl)sulfonylindole?
The InChIKey is LGFPGAFPAVSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-12-4-7-15(8-5-12)20(18,19)17-10-9-14-6-3-13(2)11-16(14)17/h3-11H,1-2H3.
What are the key properties of 6-methyl-1-(4-methylphenyl)sulfonylindole?
6-methyl-1-(4-methylphenyl)sulfonylindole has a molecular weight of 285.37 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 14567400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).