2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione

C24H20N2O4S — CID 15167902

IUPAC2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc(CN4C(=O)c5ccccc5C4=O)cc3C2)cc1
InChIInChI=1S/C24H20N2O4S/c1-16-6-10-20(11-7-16)31(29,30)25-14-18-9-8-17(12-19(18)15-25)13-26-23(27)21-4-2-3-5-22(21)24(26)28/h2-12H,13-15H2,1H3
InChIKeySSBHJADDDCPOCM-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.50
Rot. Bonds4

About 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione

2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione (PubChem CID 15167902) has the molecular formula C24H20N2O4S and a molecular weight of 432.50 g/mol. Its IUPAC name is 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione
PubChem CID15167902
Molecular FormulaC24H20N2O4S
Molecular Weight432.50 g/mol
Exact Mass432.11
IUPAC Name2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione
SMILESCc1ccc(S(=O)(=O)N2Cc3ccc(CN4C(=O)c5ccccc5C4=O)cc3C2)cc1
InChIInChI=1S/C24H20N2O4S/c1-16-6-10-20(11-7-16)31(29,30)25-14-18-9-8-17(12-19(18)15-25)13-26-23(27)21-4-2-3-5-22(21)24(26)28/h2-12H,13-15H2,1H3
InChIKeySSBHJADDDCPOCM-UHFFFAOYSA-N
XLogP3.50
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-[(1,3-Dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 323350
4-[(5-Methyl-1,3-dioxoisoindol-2-yl)methyl]benzenesulfonamide
CID 71602412
LB-50016
CID 10068602
4-[2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)ethyl]benzenesulfonamide
CID 17774014
2-methyl-N-[[4-[(p-tolylsulfonylamino)methyl]phenyl]methyl]benzamide
CID 130431519
N-hydroxy-2-phenyl-4-[(1,1,3-trioxo-1,2-benzothiazol-2-yl)methyl]benzamide
CID 162660277
2-((4-Methylphenyl)sulfonyl)-1H-isoindole-1,3(2H)-dione
CID 214133
2-(1,3-dioxoisoindolin-2-yl)-N-(4-sulfamoylphenethyl)acetamide
CID 1147802
2-[2-(2,5-Dimethylphenyl)-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
CID 2531714
2-[3-[4-(3,4-Dimethylphenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 2550597
5-[4-(4-Propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-2-prop-2-enylisoindole-1,3-dione
CID 24978788
4-[2-(5,7-Dioxobenzo[d][2]benzazepin-6-yl)ethyl]benzenesulfonamide
CID 25048179

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione (CID 15167902) is 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione is Cc1ccc(S(=O)(=O)N2Cc3ccc(CN4C(=O)c5ccccc5C4=O)cc3C2)cc1.
What is the InChIKey of 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione?
The InChIKey is SSBHJADDDCPOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4S/c1-16-6-10-20(11-7-16)31(29,30)25-14-18-9-8-17(12-19(18)15-25)13-26-23(27)21-4-2-3-5-22(21)24(26)28/h2-12H,13-15H2,1H3.
What are the key properties of 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione?
2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 432.50 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 15167902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).