2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C67H57BrFN9O6S3 — CID 158890542

IUPAC2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Br)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O2S.C22H18BrN3O2S.C22H18FN3O2S/c1-16-7-9-17(10-8-16)11-14-23-25-20-13-12-18(15-21(20)26-23)19-5-3-4-6-22(19)29(27,28)24-2;2*1-24-29(27,28)21-5-3-2-4-18(21)16-9-12-19-20(14-16)26-22(25-19)13-8-15-6-10-17(23)11-7-15/h3-15,24H,1-2H3,(H,25,26);2*2-14,24H,1H3,(H,25,26)/b14-11+;2*13-8+
InChIKeyJEEFBBHAEKAXJT-JVGRRKRSSA-N
MW1279.35 g/mol
LogP14.14
Rot. Bonds15

About 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 158890542) has the molecular formula C67H57BrFN9O6S3 and a molecular weight of 1279.35 g/mol. Its IUPAC name is 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID158890542
Molecular FormulaC67H57BrFN9O6S3
Molecular Weight1279.35 g/mol
Exact Mass1277.28
IUPAC Name2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Br)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O2S.C22H18BrN3O2S.C22H18FN3O2S/c1-16-7-9-17(10-8-16)11-14-23-25-20-13-12-18(15-21(20)26-23)19-5-3-4-6-22(19)29(27,28)24-2;2*1-24-29(27,28)21-5-3-2-4-18(21)16-9-12-19-20(14-16)26-22(25-19)13-8-15-6-10-17(23)11-7-15/h3-15,24H,1-2H3,(H,25,26);2*2-14,24H,1H3,(H,25,26)/b14-11+;2*13-8+
InChIKeyJEEFBBHAEKAXJT-JVGRRKRSSA-N
XLogP14.14
TPSA224.55 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001279.35
LogP ≤ 514.14
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide 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-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 158890542) is 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(Br)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is JEEFBBHAEKAXJT-JVGRRKRSSA-N. The full InChI is InChI=1S/C23H21N3O2S.C22H18BrN3O2S.C22H18FN3O2S/c1-16-7-9-17(10-8-16)11-14-23-25-20-13-12-18(15-21(20)26-23)19-5-3-4-6-22(19)29(27,28)24-2;2*1-24-29(27,28)21-5-3-2-4-18(21)16-9-12-19-20(14-16)26-22(25-19)13-8-15-6-10-17(23)11-7-15/h3-15,24H,1-2H3,(H,25,26);2*2-14,24H,1H3,(H,25,26)/b14-11+;2*13-8+.
What are the key properties of 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1279.35 g/mol, XLogP of 14.14, 15 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-(4-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 158890542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).