2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione

C26H21Cl2N3O4S — CID 11846355

IUPAC2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)c1ccc(S(=O)(=O)n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C26H21Cl2N3O4S/c1-15(2)16-7-9-17(10-8-16)36(34,35)31-23-14-21(28)20(27)13-22(23)29-24(31)11-12-30-25(32)18-5-3-4-6-19(18)26(30)33/h3-10,13-15H,11-12H2,1-2H3
InChIKeyCLLZYYQWENSBCI-UHFFFAOYSA-N
MW542.44 g/mol
LogP5.54
Rot. Bonds6

About 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione

2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 11846355) has the molecular formula C26H21Cl2N3O4S and a molecular weight of 542.44 g/mol. Its IUPAC name is 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
PubChem CID11846355
Molecular FormulaC26H21Cl2N3O4S
Molecular Weight542.44 g/mol
Exact Mass541.06
IUPAC Name2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione
SMILESCC(C)c1ccc(S(=O)(=O)n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(Cl)c(Cl)cc32)cc1
InChIInChI=1S/C26H21Cl2N3O4S/c1-15(2)16-7-9-17(10-8-16)36(34,35)31-23-14-21(28)20(27)13-22(23)29-24(31)11-12-30-25(32)18-5-3-4-6-19(18)26(30)33/h3-10,13-15H,11-12H2,1-2H3
InChIKeyCLLZYYQWENSBCI-UHFFFAOYSA-N
XLogP5.54
TPSA89.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.44
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)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-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione (CID 11846355) is 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione is CC(C)c1ccc(S(=O)(=O)n2c(CCN3C(=O)c4ccccc4C3=O)nc3cc(Cl)c(Cl)cc32)cc1.
What is the InChIKey of 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is CLLZYYQWENSBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N3O4S/c1-15(2)16-7-9-17(10-8-16)36(34,35)31-23-14-21(28)20(27)13-22(23)29-24(31)11-12-30-25(32)18-5-3-4-6-19(18)26(30)33/h3-10,13-15H,11-12H2,1-2H3.
What are the key properties of 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 542.44 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5,6-dichloro-1-(4-propan-2-ylphenyl)sulfonylbenzimidazol-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 11846355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).