2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

C22H18BrN3O2S — CID 67164796

IUPAC2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3ccccc3Br)[nH]c2c1
InChIInChI=1S/C22H18BrN3O2S/c1-24-29(27,28)21-9-5-3-7-17(21)16-10-12-19-20(14-16)26-22(25-19)13-11-15-6-2-4-8-18(15)23/h2-14,24H,1H3,(H,25,26)
InChIKeyFWMOWWBXXOIIKC-UHFFFAOYSA-N
MW468.38 g/mol
LogP5.07
Rot. Bonds5

About 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide

2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (PubChem CID 67164796) has the molecular formula C22H18BrN3O2S and a molecular weight of 468.38 g/mol. Its IUPAC name is 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
PubChem CID67164796
Molecular FormulaC22H18BrN3O2S
Molecular Weight468.38 g/mol
Exact Mass467.03
IUPAC Name2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3ccccc3Br)[nH]c2c1
InChIInChI=1S/C22H18BrN3O2S/c1-24-29(27,28)21-9-5-3-7-17(21)16-10-12-19-20(14-16)26-22(25-19)13-11-15-6-2-4-8-18(15)23/h2-14,24H,1H3,(H,25,26)
InChIKeyFWMOWWBXXOIIKC-UHFFFAOYSA-N
XLogP5.07
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59008050
2-[2-[(E)-2-(3,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59007968
2-[2-[2-(3-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67165611
2-[2-[2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 67166160
N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008053
2-[2-[(E)-2-(3,4-dichlorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59008105
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
2-[2-[(E)-2-[2,5-bis(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 59008046
N-methyl-2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165114
N-methyl-2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 58381139
2-[2-[(E)-2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(2-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 159489427
2-[2-[(E)-2-(3-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;2-[2-[(E)-2-(4-chloro-2-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide
CID 159207273

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide (CID 67164796) is 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(C=Cc3ccccc3Br)[nH]c2c1.
What is the InChIKey of 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
The InChIKey is FWMOWWBXXOIIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3O2S/c1-24-29(27,28)21-9-5-3-7-17(21)16-10-12-19-20(14-16)26-22(25-19)13-11-15-6-2-4-8-18(15)23/h2-14,24H,1H3,(H,25,26).
What are the key properties of 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide?
2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide has a molecular weight of 468.38 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-bromophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 67164796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).