5-methyl-2-(4-methylsulfonylphenyl)-1H-indole

C16H15NO2S — CID 19694484

IUPAC5-methyl-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc2c1
InChIInChI=1S/C16H15NO2S/c1-11-3-8-15-13(9-11)10-16(17-15)12-4-6-14(7-5-12)20(2,18)19/h3-10,17H,1-2H3
InChIKeyHOTAAFQUQBYBPA-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.55
Rot. Bonds2

About 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole

5-methyl-2-(4-methylsulfonylphenyl)-1H-indole (PubChem CID 19694484) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-2-(4-methylsulfonylphenyl)-1H-indole
PubChem CID19694484
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name5-methyl-2-(4-methylsulfonylphenyl)-1H-indole
SMILESCc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc2c1
InChIInChI=1S/C16H15NO2S/c1-11-3-8-15-13(9-11)10-16(17-15)12-4-6-14(7-5-12)20(2,18)19/h3-10,17H,1-2H3
InChIKeyHOTAAFQUQBYBPA-UHFFFAOYSA-N
XLogP3.55
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole?
The IUPAC name of 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole (CID 19694484) is 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole.
What is the SMILES notation for 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole?
The canonical SMILES for 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole is Cc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc2c1.
What is the InChIKey of 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole?
The InChIKey is HOTAAFQUQBYBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-11-3-8-15-13(9-11)10-16(17-15)12-4-6-14(7-5-12)20(2,18)19/h3-10,17H,1-2H3.
What are the key properties of 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole?
5-methyl-2-(4-methylsulfonylphenyl)-1H-indole has a molecular weight of 285.37 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(4-methylsulfonylphenyl)-1H-indole is sourced from PubChem (CID 19694484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).