N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C69H54F9N9O8S3 — CID 159341921

IUPACN-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(OC(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(OC(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/2C23H18F3N3O3S.C23H18F3N3O2S/c1-27-33(30,31)21-8-3-2-7-18(21)16-10-11-19-20(14-16)29-22(28-19)12-9-15-5-4-6-17(13-15)32-23(24,25)26;1-27-33(30,31)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)32-23(24,25)26;1-27-32(30,31)21-9-5-3-7-17(21)16-10-12-19-20(14-16)29-22(28-19)13-11-15-6-2-4-8-18(15)23(24,25)26/h2*2-14,27H,1H3,(H,28,29);2-14,27H,1H3,(H,28,29)/b12-9+;13-8+;13-11+
InChIKeyLGFZJTUGMGHMAO-MHXONQOLSA-N
MW1404.43 g/mol
LogP15.74
Rot. Bonds17

About N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 159341921) has the molecular formula C69H54F9N9O8S3 and a molecular weight of 1404.43 g/mol. Its IUPAC name is N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID159341921
Molecular FormulaC69H54F9N9O8S3
Molecular Weight1404.43 g/mol
Exact Mass1403.31
IUPAC NameN-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(OC(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(OC(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c2c1
InChIInChI=1S/2C23H18F3N3O3S.C23H18F3N3O2S/c1-27-33(30,31)21-8-3-2-7-18(21)16-10-11-19-20(14-16)29-22(28-19)12-9-15-5-4-6-17(13-15)32-23(24,25)26;1-27-33(30,31)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)32-23(24,25)26;1-27-32(30,31)21-9-5-3-7-17(21)16-10-12-19-20(14-16)29-22(28-19)13-11-15-6-2-4-8-18(15)23(24,25)26/h2*2-14,27H,1H3,(H,28,29);2-14,27H,1H3,(H,28,29)/b12-9+;13-8+;13-11+
InChIKeyLGFZJTUGMGHMAO-MHXONQOLSA-N
XLogP15.74
TPSA243.01 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds17
Heavy Atoms98
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001404.43
LogP ≤ 515.74
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 58381102
2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007833
N-propan-2-yl-2-[4-[4-[5-(N-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]-3-(trifluoromethyl)phenoxy]phenyl]-1H-benzimidazole-5-carboximidamide
CID 136123451
methanesulfonic acid;6-[5-phenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 17981835
6-[5-phenyl-2-[4-(trifluoromethoxy)phenyl]-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 17981836
2-[2-[(E)-2-[4-(2,2,2-trifluoroethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24757994
2-[2-[(E)-2-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758123
2-[2-[2-[4-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758468
2-[2-[2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758698
2-[2-[(E)-2-[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24759693
N-methyl-2-[2-[[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24822157
2-[2-[difluoro-[4-(trifluoromethyl)phenoxy]methyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24958719

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 159341921) is N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(OC(F)(F)F)cc3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cccc(OC(F)(F)F)c3)[nH]c2c1.CNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c2c1.
What is the InChIKey of N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is LGFZJTUGMGHMAO-MHXONQOLSA-N. The full InChI is InChI=1S/2C23H18F3N3O3S.C23H18F3N3O2S/c1-27-33(30,31)21-8-3-2-7-18(21)16-10-11-19-20(14-16)29-22(28-19)12-9-15-5-4-6-17(13-15)32-23(24,25)26;1-27-33(30,31)21-5-3-2-4-18(21)16-9-12-19-20(14-16)29-22(28-19)13-8-15-6-10-17(11-7-15)32-23(24,25)26;1-27-32(30,31)21-9-5-3-7-17(21)16-10-12-19-20(14-16)29-22(28-19)13-11-15-6-2-4-8-18(15)23(24,25)26/h2*2-14,27H,1H3,(H,28,29);2-14,27H,1H3,(H,28,29)/b12-9+;13-8+;13-11+.
What are the key properties of N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1404.43 g/mol, XLogP of 15.74, 17 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 159341921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).