1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole

C17H19NO2S — CID 669094

IUPAC1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C17H19NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-9-8-15-6-4-5-7-16(15)18/h4-7,10-11H,8-9H2,1-3H3
InChIKeyGNGNIJOTWKGGJV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.36
Rot. Bonds2

About 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole

1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 669094) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID669094
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3ccccc32)c(C)c1
InChIInChI=1S/C17H19NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-9-8-15-6-4-5-7-16(15)18/h4-7,10-11H,8-9H2,1-3H3
InChIKeyGNGNIJOTWKGGJV-UHFFFAOYSA-N
XLogP3.36
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole (CID 669094) is 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole is Cc1cc(C)c(S(=O)(=O)N2CCc3ccccc32)c(C)c1.
What is the InChIKey of 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is GNGNIJOTWKGGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-10-13(2)17(14(3)11-12)21(19,20)18-9-8-15-6-4-5-7-16(15)18/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole?
1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 301.41 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 669094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).