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

C64H48BrClF3N9O6S3 — CID 159489427

IUPAC2-[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
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3Br)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C22H16F3N3O2S.C21H16BrN3O2S.C21H16ClN3O2S/c23-22(24,25)17-7-3-1-5-14(17)10-12-21-27-18-11-9-15(13-19(18)28-21)16-6-2-4-8-20(16)31(26,29)30;2*22-17-7-3-1-5-14(17)10-12-21-24-18-11-9-15(13-19(18)25-21)16-6-2-4-8-20(16)28(23,26)27/h1-13H,(H,27,28)(H2,26,29,30);2*1-13H,(H,24,25)(H2,23,26,27)/b3*12-10+
InChIKeyLXZOSELUWYENOA-CHFGKEEUSA-N
MW1307.70 g/mol
LogP14.58
Rot. Bonds12

About 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

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 (PubChem CID 159489427) has the molecular formula C64H48BrClF3N9O6S3 and a molecular weight of 1307.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID159489427
Molecular FormulaC64H48BrClF3N9O6S3
Molecular Weight1307.70 g/mol
Exact Mass1305.17
IUPAC Name2-[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
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3Br)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3Cl)[nH]c2c1
InChIInChI=1S/C22H16F3N3O2S.C21H16BrN3O2S.C21H16ClN3O2S/c23-22(24,25)17-7-3-1-5-14(17)10-12-21-27-18-11-9-15(13-19(18)28-21)16-6-2-4-8-20(16)31(26,29)30;2*22-17-7-3-1-5-14(17)10-12-21-24-18-11-9-15(13-19(18)25-21)16-6-2-4-8-20(16)28(23,26)27/h1-13H,(H,27,28)(H2,26,29,30);2*1-13H,(H,24,25)(H2,23,26,27)/b3*12-10+
InChIKeyLXZOSELUWYENOA-CHFGKEEUSA-N
XLogP14.58
TPSA266.52 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001307.70
LogP ≤ 514.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3Br)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3Cl)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is LXZOSELUWYENOA-CHFGKEEUSA-N. The full InChI is InChI=1S/C22H16F3N3O2S.C21H16BrN3O2S.C21H16ClN3O2S/c23-22(24,25)17-7-3-1-5-14(17)10-12-21-27-18-11-9-15(13-19(18)28-21)16-6-2-4-8-20(16)31(26,29)30;2*22-17-7-3-1-5-14(17)10-12-21-24-18-11-9-15(13-19(18)25-21)16-6-2-4-8-20(16)28(23,26)27/h1-13H,(H,27,28)(H2,26,29,30);2*1-13H,(H,24,25)(H2,23,26,27)/b3*12-10+.
What are the key properties of 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?
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 has a molecular weight of 1307.70 g/mol, XLogP of 14.58, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159489427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).