2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole

C19H23NO2S — CID 5172204

IUPAC2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2c3ccccc3CC2C)c1C
InChIInChI=1S/C19H23NO2S/c1-12-10-13(2)16(5)19(15(12)4)23(21,22)20-14(3)11-17-8-6-7-9-18(17)20/h6-10,14H,11H2,1-5H3
InChIKeyNGNZLCWCBMNTDR-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.06
Rot. Bonds2

About 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole

2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 5172204) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID5172204
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2c3ccccc3CC2C)c1C
InChIInChI=1S/C19H23NO2S/c1-12-10-13(2)16(5)19(15(12)4)23(21,22)20-14(3)11-17-8-6-7-9-18(17)20/h6-10,14H,11H2,1-5H3
InChIKeyNGNZLCWCBMNTDR-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole (CID 5172204) is 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole is Cc1cc(C)c(C)c(S(=O)(=O)N2c3ccccc3CC2C)c1C.
What is the InChIKey of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is NGNZLCWCBMNTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-12-10-13(2)16(5)19(15(12)4)23(21,22)20-14(3)11-17-8-6-7-9-18(17)20/h6-10,14H,11H2,1-5H3.
What are the key properties of 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole?
2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 329.47 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 5172204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).