2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione

C23H17N3O4S — CID 11846350

IUPAC2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H17N3O4S/c27-22-17-10-4-5-11-18(17)23(28)25(22)15-14-21-24-19-12-6-7-13-20(19)26(21)31(29,30)16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyNMVXSZDFDXECQK-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.11
Rot. Bonds5

About 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione

2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 11846350) has the molecular formula C23H17N3O4S and a molecular weight of 431.47 g/mol. Its IUPAC name is 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione
PubChem CID11846350
Molecular FormulaC23H17N3O4S
Molecular Weight431.47 g/mol
Exact Mass431.09
IUPAC Name2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCc1nc2ccccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C23H17N3O4S/c27-22-17-10-4-5-11-18(17)23(28)25(22)15-14-21-24-19-12-6-7-13-20(19)26(21)31(29,30)16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyNMVXSZDFDXECQK-UHFFFAOYSA-N
XLogP3.11
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[1-[4-(trifluoromethyl)phenyl]sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 141108350
2-[2-[5,6-difluoro-1-(4-fluorophenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 141108184
2-[2-[5,6-difluoro-1-(3-methylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
CID 141108311
1-(benzenesulfonyl)-2-methylbenzimidazole
CID 3468368
4-(2-benzylbenzimidazol-1-yl)sulfonylaniline
CID 23822189
2-benzyl-1-(4-chlorophenyl)sulfonylbenzimidazole
CID 610174
2-[[5,6-dichloro-1-(4-methylphenyl)sulfonylbenzimidazol-2-yl]methyl]isoindole-1,3-dione
CID 11846686
1-(4-fluorophenyl)sulfonyl-2-(2-pyridin-2-ylethyl)benzimidazole
CID 2754453
1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]benzimidazole
CID 11589588
2-[2-[2-(2-methylbenzimidazol-1-yl)ethylsulfonyl]ethyl]isoindole-1,3-dione
CID 70329737
2-[2-[3-[2-(2-methylpyrimidin-5-yl)ethyl]-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 177158994
2-[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]isoindole-1,3-dione
CID 1366773

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione (CID 11846350) is 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is NMVXSZDFDXECQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O4S/c27-22-17-10-4-5-11-18(17)23(28)25(22)15-14-21-24-19-12-6-7-13-20(19)26(21)31(29,30)16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 431.47 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(benzenesulfonyl)benzimidazol-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 11846350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).