N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

C69H52F9N9O7S3 — CID 160544602

IUPACN-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C24H21N3O3S.C23H15F6N3O2S.C22H16F3N3O2S/c1-16(28)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)27-31(2,29)30;24-22(25,26)16-5-3-4-14(12-16)8-11-21-30-19-10-9-15(13-20(19)31-21)17-6-1-2-7-18(17)32-35(33,34)23(27,28)29;23-22(24,25)16-5-3-4-14(12-16)8-11-21-27-18-10-9-15(13-19(18)28-21)17-6-1-2-7-20(17)31(26,29)30/h3-15,27H,1-2H3,(H,25,26);1-13,32H,(H,30,31);1-13H,(H,27,28)(H2,26,29,30)/b14-9+;2*11-8+
InChIKeyQXGHDNNYGBXLFS-CFGIRVAOSA-N
MW1386.41 g/mol
LogP16.72
Rot. Bonds15

About N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide

N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 160544602) has the molecular formula C69H52F9N9O7S3 and a molecular weight of 1386.41 g/mol. Its IUPAC name is N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID160544602
Molecular FormulaC69H52F9N9O7S3
Molecular Weight1386.41 g/mol
Exact Mass1385.30
IUPAC NameN-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1)C(F)(F)F
InChIInChI=1S/C24H21N3O3S.C23H15F6N3O2S.C22H16F3N3O2S/c1-16(28)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)27-31(2,29)30;24-22(25,26)16-5-3-4-14(12-16)8-11-21-30-19-10-9-15(13-20(19)31-21)17-6-1-2-7-18(17)32-35(33,34)23(27,28)29;23-22(24,25)16-5-3-4-14(12-16)8-11-21-27-18-10-9-15(13-19(18)28-21)17-6-1-2-7-20(17)31(26,29)30/h3-15,27H,1-2H3,(H,25,26);1-13,32H,(H,30,31);1-13H,(H,27,28)(H2,26,29,30)/b14-9+;2*11-8+
InChIKeyQXGHDNNYGBXLFS-CFGIRVAOSA-N
XLogP16.72
TPSA255.61 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001386.41
LogP ≤ 516.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 160544602) is N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CC(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(NS(C)(=O)=O)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1.O=S(=O)(Nc1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c2c1)C(F)(F)F.
What is the InChIKey of N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is QXGHDNNYGBXLFS-CFGIRVAOSA-N. The full InChI is InChI=1S/C24H21N3O3S.C23H15F6N3O2S.C22H16F3N3O2S/c1-16(28)20-5-3-4-6-21(20)18-10-13-22-23(15-18)26-24(25-22)14-9-17-7-11-19(12-8-17)27-31(2,29)30;24-22(25,26)16-5-3-4-14(12-16)8-11-21-30-19-10-9-15(13-20(19)31-21)17-6-1-2-7-18(17)32-35(33,34)23(27,28)29;23-22(24,25)16-5-3-4-14(12-16)8-11-21-27-18-10-9-15(13-19(18)28-21)17-6-1-2-7-20(17)31(26,29)30/h3-15,27H,1-2H3,(H,25,26);1-13,32H,(H,30,31);1-13H,(H,27,28)(H2,26,29,30)/b14-9+;2*11-8+.
What are the key properties of N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 1386.41 g/mol, XLogP of 16.72, 15 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[6-(2-acetylphenyl)-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide;2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 160544602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).