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

C70H52F12N8O5S2 — CID 157380535

IUPAC2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[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/C25H21F3N2O.C23H15F6N3O2S.C22H16F3N3O2S/c1-24(2,31)20-9-4-3-8-19(20)17-11-12-21-22(15-17)30-23(29-21)13-10-16-6-5-7-18(14-16)25(26,27)28;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/h3-15,31H,1-2H3,(H,29,30);1-13,32H,(H,30,31);1-13H,(H,27,28)(H2,26,29,30)/b13-10+;2*11-8+
InChIKeyBKVGSGQTQOAXMD-GIXBJARTSA-N
MW1377.35 g/mol
LogP18.39
Rot. Bonds13

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

2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 157380535) has the molecular formula C70H52F12N8O5S2 and a molecular weight of 1377.35 g/mol. Its IUPAC name is 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID157380535
Molecular FormulaC70H52F12N8O5S2
Molecular Weight1377.35 g/mol
Exact Mass1376.33
IUPAC Name2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[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/C25H21F3N2O.C23H15F6N3O2S.C22H16F3N3O2S/c1-24(2,31)20-9-4-3-8-19(20)17-11-12-21-22(15-17)30-23(29-21)13-10-16-6-5-7-18(14-16)25(26,27)28;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/h3-15,31H,1-2H3,(H,29,30);1-13,32H,(H,30,31);1-13H,(H,27,28)(H2,26,29,30)/b13-10+;2*11-8+
InChIKeyBKVGSGQTQOAXMD-GIXBJARTSA-N
XLogP18.39
TPSA212.60 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001377.35
LogP ≤ 518.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;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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Related Compounds

2-[2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 58381208
1,1,1-trifluoro-N-[4-[2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 53346086
2-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 58381571
1,1,1-trifluoro-N-[4-[(E)-2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
CID 59008114
2-[2-[2-[2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 67164691
1,1,1-trifluoro-N-[4-[2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethenyl]phenyl]methanesulfonamide
CID 67165920
1,1,1-trifluoro-N-[4-[4-(2-hydroxypropan-2-yl)-6-phenyl-1H-benzimidazol-2-yl]phenyl]methanesulfonamide
CID 68254717
1,1,1-trifluoro-N-[4-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]phenyl]methanesulfonamide
CID 68340090
2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethynyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 123286737
1-[2-[2-[2-(3-methylphenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]ethanol;N-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 123314860
2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[4-(1,1,1-trifluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 123414949
5-methyl-2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;5-methyl-2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 123523292

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 157380535) is 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;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 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is CC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(C(F)(F)F)c3)[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 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is BKVGSGQTQOAXMD-GIXBJARTSA-N. The full InChI is InChI=1S/C25H21F3N2O.C23H15F6N3O2S.C22H16F3N3O2S/c1-24(2,31)20-9-4-3-8-19(20)17-11-12-21-22(15-17)30-23(29-21)13-10-16-6-5-7-18(14-16)25(26,27)28;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/h3-15,31H,1-2H3,(H,29,30);1-13,32H,(H,30,31);1-13H,(H,27,28)(H2,26,29,30)/b13-10+;2*11-8+.
What are the key properties of 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide?
2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 1377.35 g/mol, XLogP of 18.39, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;1,1,1-trifluoro-N-[2-[2-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 157380535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).