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

C18H21NO2S — CID 2359298

IUPAC1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCc3ccccc32)c1C
InChIInChI=1S/C18H21NO2S/c1-12-11-13(2)15(4)18(14(12)3)22(20,21)19-10-9-16-7-5-6-8-17(16)19/h5-8,11H,9-10H2,1-4H3
InChIKeyGLNJGYWLQSBXPA-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.67
Rot. Bonds2

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

1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 2359298) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID2359298
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCc3ccccc32)c1C
InChIInChI=1S/C18H21NO2S/c1-12-11-13(2)15(4)18(14(12)3)22(20,21)19-10-9-16-7-5-6-8-17(16)19/h5-8,11H,9-10H2,1-4H3
InChIKeyGLNJGYWLQSBXPA-UHFFFAOYSA-N
XLogP3.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole (CID 2359298) is 1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole is Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3ccccc32)c1C.
What is the InChIKey of 1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is GLNJGYWLQSBXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12-11-13(2)15(4)18(14(12)3)22(20,21)19-10-9-16-7-5-6-8-17(16)19/h5-8,11H,9-10H2,1-4H3.
What are the key properties of 1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole?
1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 315.44 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5,6-tetramethylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 2359298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).