1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole

C23H19ClN2O3S — CID 15990861

IUPAC1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole
SMILESCCOc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-2-29-19-13-10-17(11-14-19)12-15-23-25-21-8-3-4-9-22(21)26(23)30(27,28)20-7-5-6-18(24)16-20/h3-16H,2H2,1H3/b15-12+
InChIKeySYUVCXDGOBEGOL-NTCAYCPXSA-N
MW438.94 g/mol
LogP5.50
Rot. Bonds6

About 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole

1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole (PubChem CID 15990861) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole
PubChem CID15990861
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole
SMILESCCOc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C23H19ClN2O3S/c1-2-29-19-13-10-17(11-14-19)12-15-23-25-21-8-3-4-9-22(21)26(23)30(27,28)20-7-5-6-18(24)16-20/h3-16H,2H2,1H3/b15-12+
InChIKeySYUVCXDGOBEGOL-NTCAYCPXSA-N
XLogP5.50
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.94
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole 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 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole (CID 15990861) is 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole is CCOc1ccc(/C=C/c2nc3ccccc3n2S(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole?
The InChIKey is SYUVCXDGOBEGOL-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-2-29-19-13-10-17(11-14-19)12-15-23-25-21-8-3-4-9-22(21)26(23)30(27,28)20-7-5-6-18(24)16-20/h3-16H,2H2,1H3/b15-12+.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole?
1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole has a molecular weight of 438.94 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-2-[(E)-2-(4-ethoxyphenyl)ethenyl]benzimidazole is sourced from PubChem (CID 15990861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).