1-(2,4,6-trimethylphenyl)sulfonylindole

C17H17NO2S — CID 919981

IUPAC1-(2,4,6-trimethylphenyl)sulfonylindole
SMILESCc1cc(C)c(S(=O)(=O)n2ccc3ccccc32)c(C)c1
InChIInChI=1S/C17H17NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-9-8-15-6-4-5-7-16(15)18/h4-11H,1-3H3
InChIKeyJUVBNOZJBTVSBC-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.80
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)sulfonylindole

1-(2,4,6-trimethylphenyl)sulfonylindole (PubChem CID 919981) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)sulfonylindole.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)sulfonylindole
PubChem CID919981
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name1-(2,4,6-trimethylphenyl)sulfonylindole
SMILESCc1cc(C)c(S(=O)(=O)n2ccc3ccccc32)c(C)c1
InChIInChI=1S/C17H17NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-9-8-15-6-4-5-7-16(15)18/h4-11H,1-3H3
InChIKeyJUVBNOZJBTVSBC-UHFFFAOYSA-N
XLogP3.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylindole?
The IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonylindole (CID 919981) is 1-(2,4,6-trimethylphenyl)sulfonylindole.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)sulfonylindole?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)sulfonylindole is Cc1cc(C)c(S(=O)(=O)n2ccc3ccccc32)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)sulfonylindole?
The InChIKey is JUVBNOZJBTVSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-9-8-15-6-4-5-7-16(15)18/h4-11H,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)sulfonylindole?
1-(2,4,6-trimethylphenyl)sulfonylindole has a molecular weight of 299.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)sulfonylindole is sourced from PubChem (CID 919981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).