2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole

C21H19NO2S — CID 11268113

IUPAC2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc(-c4ccccc4)cc3C2)cc1
InChIInChI=1S/C21H19NO2S/c1-16-7-11-21(12-8-16)25(23,24)22-14-19-10-9-18(13-20(19)15-22)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3
InChIKeyLBZPGYBRKPGQIR-UHFFFAOYSA-N
MW349.46 g/mol
LogP4.37
Rot. Bonds3

About 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole

2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole (PubChem CID 11268113) has the molecular formula C21H19NO2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
PubChem CID11268113
Molecular FormulaC21H19NO2S
Molecular Weight349.46 g/mol
Exact Mass349.11
IUPAC Name2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc(-c4ccccc4)cc3C2)cc1
InChIInChI=1S/C21H19NO2S/c1-16-7-11-21(12-8-16)25(23,24)22-14-19-10-9-18(13-20(19)15-22)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3
InChIKeyLBZPGYBRKPGQIR-UHFFFAOYSA-N
XLogP4.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
The IUPAC name of 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole (CID 11268113) is 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
The canonical SMILES for 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole is Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4ccccc4)cc3C2)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
The InChIKey is LBZPGYBRKPGQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S/c1-16-7-11-21(12-8-16)25(23,24)22-14-19-10-9-18(13-20(19)15-22)17-5-3-2-4-6-17/h2-13H,14-15H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole has a molecular weight of 349.46 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole is sourced from PubChem (CID 11268113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).