1-methyl-3-methylsulfonyl-2-phenylindole

C16H15NO2S — CID 102275352

IUPAC1-methyl-3-methylsulfonyl-2-phenylindole
SMILESCn1c(-c2ccccc2)c(S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C16H15NO2S/c1-17-14-11-7-6-10-13(14)16(20(2,18)19)15(17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyLGEKAPIZRGBLIF-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.25
Rot. Bonds2

About 1-methyl-3-methylsulfonyl-2-phenylindole

1-methyl-3-methylsulfonyl-2-phenylindole (PubChem CID 102275352) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-methyl-3-methylsulfonyl-2-phenylindole.

Molecular Properties

Compound Name1-methyl-3-methylsulfonyl-2-phenylindole
PubChem CID102275352
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name1-methyl-3-methylsulfonyl-2-phenylindole
SMILESCn1c(-c2ccccc2)c(S(C)(=O)=O)c2ccccc21
InChIInChI=1S/C16H15NO2S/c1-17-14-11-7-6-10-13(14)16(20(2,18)19)15(17)12-8-4-3-5-9-12/h3-11H,1-2H3
InChIKeyLGEKAPIZRGBLIF-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylsulfonyl-2-phenylindole?
The IUPAC name of 1-methyl-3-methylsulfonyl-2-phenylindole (CID 102275352) is 1-methyl-3-methylsulfonyl-2-phenylindole.
What is the SMILES notation for 1-methyl-3-methylsulfonyl-2-phenylindole?
The canonical SMILES for 1-methyl-3-methylsulfonyl-2-phenylindole is Cn1c(-c2ccccc2)c(S(C)(=O)=O)c2ccccc21.
What is the InChIKey of 1-methyl-3-methylsulfonyl-2-phenylindole?
The InChIKey is LGEKAPIZRGBLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-17-14-11-7-6-10-13(14)16(20(2,18)19)15(17)12-8-4-3-5-9-12/h3-11H,1-2H3.
What are the key properties of 1-methyl-3-methylsulfonyl-2-phenylindole?
1-methyl-3-methylsulfonyl-2-phenylindole has a molecular weight of 285.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-methylsulfonyl-2-phenylindole is sourced from PubChem (CID 102275352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).