2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C65H48F7N9O6S3 — CID 159126858

IUPAC2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(C(F)(F)F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C22H15F4N3O2S.C22H17F2N3O2S.C21H16FN3O2S/c23-16-10-13(9-15(12-16)22(24,25)26)5-8-21-28-18-7-6-14(11-19(18)29-21)17-3-1-2-4-20(17)32(27,30)31;23-22(24)15-8-5-14(6-9-15)7-12-21-26-18-11-10-16(13-19(18)27-21)17-3-1-2-4-20(17)30(25,28)29;22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27/h1-12H,(H,28,29)(H2,27,30,31);1-13,22H,(H,26,27)(H2,25,28,29);1-13H,(H,24,25)(H2,23,26,27)/b8-5+;2*12-7+
InChIKeyKGJSPLAFTKEGHH-XRAVQCHXSA-N
MW1280.34 g/mol
LogP14.38
Rot. Bonds13

About 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 159126858) has the molecular formula C65H48F7N9O6S3 and a molecular weight of 1280.34 g/mol. Its IUPAC name is 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID159126858
Molecular FormulaC65H48F7N9O6S3
Molecular Weight1280.34 g/mol
Exact Mass1279.28
IUPAC Name2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(C(F)(F)F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C22H15F4N3O2S.C22H17F2N3O2S.C21H16FN3O2S/c23-16-10-13(9-15(12-16)22(24,25)26)5-8-21-28-18-7-6-14(11-19(18)29-21)17-3-1-2-4-20(17)32(27,30)31;23-22(24)15-8-5-14(6-9-15)7-12-21-26-18-11-10-16(13-19(18)27-21)17-3-1-2-4-20(17)30(25,28)29;22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27/h1-12H,(H,28,29)(H2,27,30,31);1-13,22H,(H,26,27)(H2,25,28,29);1-13H,(H,24,25)(H2,23,26,27)/b8-5+;2*12-7+
InChIKeyKGJSPLAFTKEGHH-XRAVQCHXSA-N
XLogP14.38
TPSA266.52 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001280.34
LogP ≤ 514.38
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

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Related Compounds

6-[2-(2,6-difluorophenyl)-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine
CID 9827020
2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758469
2-[2-[(E)-2-[4-(trifluoromethylsulfonyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341467
2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341468
2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007841
2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007900
2-[2-[2-[4-(trifluoromethyl)phenyl]ethynyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007942
3-(2-amino-5-(trifluoromethyl)-1H-benzo[d]imidazol-7-yl)-N,N-bis(4-methoxybenzyl)-2-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)-6-(trifluoromethyl) benzenesulfonamide
CID 118266302
3-(2-amino-3H-benzimidazol-5-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266451
N'-propan-2-yl-2-[4-[[4-[6-(N'-propan-2-ylcarbamimidoyl)-1H-benzimidazol-2-yl]phenyl]sulfonylamino]phenyl]-3H-benzimidazole-5-carboximidamide
CID 44583295
3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 20972149
2-Trifluoromethyl-1H-benzimidazol-3-ium naphthalene-1,5-disulfonate
CID 139082933

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 159126858) is 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3cc(F)cc(C(F)(F)F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(/C=C/c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is KGJSPLAFTKEGHH-XRAVQCHXSA-N. The full InChI is InChI=1S/C22H15F4N3O2S.C22H17F2N3O2S.C21H16FN3O2S/c23-16-10-13(9-15(12-16)22(24,25)26)5-8-21-28-18-7-6-14(11-19(18)29-21)17-3-1-2-4-20(17)32(27,30)31;23-22(24)15-8-5-14(6-9-15)7-12-21-26-18-11-10-16(13-19(18)27-21)17-3-1-2-4-20(17)30(25,28)29;22-16-9-5-14(6-10-16)7-12-21-24-18-11-8-15(13-19(18)25-21)17-3-1-2-4-20(17)28(23,26)27/h1-12H,(H,28,29)(H2,27,30,31);1-13,22H,(H,26,27)(H2,25,28,29);1-13H,(H,24,25)(H2,23,26,27)/b8-5+;2*12-7+.
What are the key properties of 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1280.34 g/mol, XLogP of 14.38, 13 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-[4-(difluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-(4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[(E)-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 159126858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).