2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione

C24H17F2N3O4S — CID 11846353

IUPAC2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCc1ccc(S(=O)(=O)n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(F)c(F)cc32)cc1
InChIInChI=1S/C24H17F2N3O4S/c1-14-6-8-15(9-7-14)34(32,33)29-21-13-19(26)18(25)12-20(21)27-22(29)10-11-28-23(30)16-4-2-3-5-17(16)24(28)31/h2-9,12-13H,10-11H2,1H3
InChIKeyVWUMAGBZLLXVDD-UHFFFAOYSA-N
MW481.48 g/mol
LogP3.70
Rot. Bonds5

About 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione

2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 11846353) has the molecular formula C24H17F2N3O4S and a molecular weight of 481.48 g/mol. Its IUPAC name is 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
PubChem CID11846353
Molecular FormulaC24H17F2N3O4S
Molecular Weight481.48 g/mol
Exact Mass481.09
IUPAC Name2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCc1ccc(S(=O)(=O)n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(F)c(F)cc32)cc1
InChIInChI=1S/C24H17F2N3O4S/c1-14-6-8-15(9-7-14)34(32,33)29-21-13-19(26)18(25)12-20(21)27-22(29)10-11-28-23(30)16-4-2-3-5-17(16)24(28)31/h2-9,12-13H,10-11H2,1H3
InChIKeyVWUMAGBZLLXVDD-UHFFFAOYSA-N
XLogP3.70
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione (CID 11846353) is 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione is Cc1ccc(S(=O)(=O)n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(F)c(F)cc32)cc1.
What is the InChIKey of 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is VWUMAGBZLLXVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O4S/c1-14-6-8-15(9-7-14)34(32,33)29-21-13-19(26)18(25)12-20(21)27-22(29)10-11-28-23(30)16-4-2-3-5-17(16)24(28)31/h2-9,12-13H,10-11H2,1H3.
What are the key properties of 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 481.48 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5,6-difluoro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 11846353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).