N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide

C39H24Cl2F4N6O4S2 — CID 123832606

IUPACN-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccc(-c4cccc(NS(=O)(=O)c5ccc6nc(-c7ccccc7C(F)(F)F)[nH]c6c5)c4Cl)cc3F)[nH]c2c1
InChIInChI=1S/C39H24Cl2F4N6O4S2/c40-28-9-3-4-10-30(28)50-56(52,53)22-13-17-32-35(19-22)49-38(47-32)26-15-12-21(18-29(26)42)24-7-5-11-33(36(24)41)51-57(54,55)23-14-16-31-34(20-23)48-37(46-31)25-6-1-2-8-27(25)39(43,44)45/h1-20,50-51H,(H,46,48)(H,47,49)
InChIKeyIQISFIUAIFUSEZ-UHFFFAOYSA-N
MW851.69 g/mol
LogP10.51
Rot. Bonds9

About N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide (PubChem CID 123832606) has the molecular formula C39H24Cl2F4N6O4S2 and a molecular weight of 851.69 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide
PubChem CID123832606
Molecular FormulaC39H24Cl2F4N6O4S2
Molecular Weight851.69 g/mol
Exact Mass850.06
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccc(-c4cccc(NS(=O)(=O)c5ccc6nc(-c7ccccc7C(F)(F)F)[nH]c6c5)c4Cl)cc3F)[nH]c2c1
InChIInChI=1S/C39H24Cl2F4N6O4S2/c40-28-9-3-4-10-30(28)50-56(52,53)22-13-17-32-35(19-22)49-38(47-32)26-15-12-21(18-29(26)42)24-7-5-11-33(36(24)41)51-57(54,55)23-14-16-31-34(20-23)48-37(46-31)25-6-1-2-8-27(25)39(43,44)45/h1-20,50-51H,(H,46,48)(H,47,49)
InChIKeyIQISFIUAIFUSEZ-UHFFFAOYSA-N
XLogP10.51
TPSA149.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500851.69
LogP ≤ 510.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-[2-chloro-6-(trifluoromethyl)phenyl]-5-phenyl-1H-imidazol-4-yl]-1-propan-2-ylsulfonylbenzimidazol-2-amine;methanesulfonic acid
CID 44456293
N-(2-Chloro-4-fluorophenyl)-2-phenyl-1H-1,3-benzodiazole-5-sulfonamide
CID 22430122
N-(2-chlorophenyl)-2-(2-fluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 50925151
2-(2-chloro-6-fluorophenyl)-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
CID 50925152
N-(2-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-3H-benzimidazole-5-sulfonamide
CID 50925307
N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfonamide
CID 50925308
N-(2,4-difluorophenyl)-2-[4-[2-fluoro-3-[(2-pyrazin-2-yl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]phenyl]-3H-benzimidazole-5-sulfonamide
CID 123494823
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
2-[2-chloro-3-[2-chloro-3-[[2-(2,6-difluorophenyl)-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-6-fluorophenyl]-N-(2-chlorophenyl)-3H-benzimidazole-5-sulfonamide
CID 123592317
N-(2-chlorophenyl)-2-[5-[2,4-difluoro-3-[(2-phenyl-3H-benzimidazol-5-yl)sulfonylamino]phenyl]-1H-imidazol-2-yl]-3H-benzimidazole-5-sulfonamide
CID 123769441
N-(2-chlorophenyl)-2-[6-[2-fluoro-3-[methyl-[(2-pyridin-2-yl-3H-benzimidazol-5-yl)sulfonyl]amino]phenyl]-2-pyridinyl]-N-methyl-3H-benzimidazole-5-sulfonamide
CID 123941386
N-(2-chlorophenyl)-2-(2,6-difluorophenyl)-3H-benzimidazole-5-sulfinamide
CID 144127619

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide (CID 123832606) is N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide is O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccc(-c4cccc(NS(=O)(=O)c5ccc6nc(-c7ccccc7C(F)(F)F)[nH]c6c5)c4Cl)cc3F)[nH]c2c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide?
The InChIKey is IQISFIUAIFUSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24Cl2F4N6O4S2/c40-28-9-3-4-10-30(28)50-56(52,53)22-13-17-32-35(19-22)49-38(47-32)26-15-12-21(18-29(26)42)24-7-5-11-33(36(24)41)51-57(54,55)23-14-16-31-34(20-23)48-37(46-31)25-6-1-2-8-27(25)39(43,44)45/h1-20,50-51H,(H,46,48)(H,47,49).
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide has a molecular weight of 851.69 g/mol, XLogP of 10.51, 9 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-chloro-3-[[2-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]sulfonylamino]phenyl]-2-fluorophenyl]-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 123832606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).