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

C22H21NO2S — CID 11382924

IUPAC4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc(-c4ccccc4)c(C)c3C2)cc1
InChIInChI=1S/C22H21NO2S/c1-16-8-11-20(12-9-16)26(24,25)23-14-19-10-13-21(17(2)22(19)15-23)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyMHEPSYFSCKZYCS-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.67
Rot. Bonds3

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

4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole (PubChem CID 11382924) has the molecular formula C22H21NO2S and a molecular weight of 363.48 g/mol. Its IUPAC name is 4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
PubChem CID11382924
Molecular FormulaC22H21NO2S
Molecular Weight363.48 g/mol
Exact Mass363.13
IUPAC Name4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc(-c4ccccc4)c(C)c3C2)cc1
InChIInChI=1S/C22H21NO2S/c1-16-8-11-20(12-9-16)26(24,25)23-14-19-10-13-21(17(2)22(19)15-23)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3
InChIKeyMHEPSYFSCKZYCS-UHFFFAOYSA-N
XLogP4.67
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methylphenyl)sulfonyl-5,6-diphenyl-1,3-dihydroisoindole
CID 134951286
2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
CID 11268113
4-methyl-2-(4-methylphenyl)sulfonyl-6-phenyl-1,3-dihydropyrrolo[3,4-c]pyridine
CID 102380568
2-[4-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]ethanol
CID 101081797
5-(4-methylphenyl)sulfonyl-1,3-diphenyl-4,6-dihydrofuro[3,4-c]pyrrole
CID 132990624
3-(4-methylphenyl)sulfonyl-6-phenyl-2,4-dihydro-1H-benzo[f]isoquinoline
CID 102289711
4-bromo-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
CID 15167897
5-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 11289669
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3,6,7,8,9-hexahydrobenzo[e]isoindole
CID 10811912
7,8-dimethyl-2-(4-methylphenyl)sulfonyl-4,5-diphenyl-1,3-dihydrobenzo[e]isoindole
CID 138964199
3-fluoro-1-(4-methylphenyl)sulfonyl-4-phenyl-2,5-dihydropyrrole
CID 135020021
2-(4-methylphenyl)sulfonyl-5-trimethylsilyl-1,3-dihydroisoindol-4-ol
CID 24756122

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
The IUPAC name of 4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole (CID 11382924) is 4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole.
What is the SMILES notation for 4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
The canonical SMILES for 4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole is Cc1ccc(S(=O)(=O)N2Cc3ccc(-c4ccccc4)c(C)c3C2)cc1.
What is the InChIKey of 4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
The InChIKey is MHEPSYFSCKZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2S/c1-16-8-11-20(12-9-16)26(24,25)23-14-19-10-13-21(17(2)22(19)15-23)18-6-4-3-5-7-18/h3-13H,14-15H2,1-2H3.
What are the key properties of 4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole has a molecular weight of 363.48 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-methylphenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole is sourced from PubChem (CID 11382924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).