2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide

C64H52F7N9O7S3 — CID 159389488

IUPAC2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)c(F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)cc3F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cccc(OC(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C22H18F3N3O3S.2C21H17F2N3O2S/c23-22(24,25)31-16-5-3-4-14(12-16)8-11-21-27-18-10-9-15(13-19(18)28-21)17-6-1-2-7-20(17)32(26,29)30;22-16-8-5-13(11-17(16)23)6-10-21-25-18-9-7-14(12-19(18)26-21)15-3-1-2-4-20(15)29(24,27)28;22-15-8-5-13(17(23)12-15)7-10-21-25-18-9-6-14(11-19(18)26-21)16-3-1-2-4-20(16)29(24,27)28/h1-7,9-10,12-13H,8,11H2,(H,27,28)(H2,26,29,30);1-5,7-9,11-12H,6,10H2,(H,25,26)(H2,24,27,28);1-6,8-9,11-12H,7,10H2,(H,25,26)(H2,24,27,28)
InChIKeyLLXVKQRJEXQZGF-UHFFFAOYSA-N
MW1288.36 g/mol
LogP12.44
Rot. Bonds16

About 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide

2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 159389488) has the molecular formula C64H52F7N9O7S3 and a molecular weight of 1288.36 g/mol. Its IUPAC name is 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID159389488
Molecular FormulaC64H52F7N9O7S3
Molecular Weight1288.36 g/mol
Exact Mass1287.30
IUPAC Name2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)c(F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)cc3F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cccc(OC(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C22H18F3N3O3S.2C21H17F2N3O2S/c23-22(24,25)31-16-5-3-4-14(12-16)8-11-21-27-18-10-9-15(13-19(18)28-21)17-6-1-2-7-20(17)32(26,29)30;22-16-8-5-13(11-17(16)23)6-10-21-25-18-9-7-14(12-19(18)26-21)15-3-1-2-4-20(15)29(24,27)28;22-15-8-5-13(17(23)12-15)7-10-21-25-18-9-6-14(11-19(18)26-21)16-3-1-2-4-20(16)29(24,27)28/h1-7,9-10,12-13H,8,11H2,(H,27,28)(H2,26,29,30);1-5,7-9,11-12H,6,10H2,(H,25,26)(H2,24,27,28);1-6,8-9,11-12H,7,10H2,(H,25,26)(H2,24,27,28)
InChIKeyLLXVKQRJEXQZGF-UHFFFAOYSA-N
XLogP12.44
TPSA275.75 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.36
LogP ≤ 512.44
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 159389488) is 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)c(F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)cc3F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cccc(OC(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is LLXVKQRJEXQZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N3O3S.2C21H17F2N3O2S/c23-22(24,25)31-16-5-3-4-14(12-16)8-11-21-27-18-10-9-15(13-19(18)28-21)17-6-1-2-7-20(17)32(26,29)30;22-16-8-5-13(11-17(16)23)6-10-21-25-18-9-7-14(12-19(18)26-21)15-3-1-2-4-20(15)29(24,27)28;22-15-8-5-13(17(23)12-15)7-10-21-25-18-9-6-14(11-19(18)26-21)16-3-1-2-4-20(16)29(24,27)28/h1-7,9-10,12-13H,8,11H2,(H,27,28)(H2,26,29,30);1-5,7-9,11-12H,6,10H2,(H,25,26)(H2,24,27,28);1-6,8-9,11-12H,7,10H2,(H,25,26)(H2,24,27,28).
What are the key properties of 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1288.36 g/mol, XLogP of 12.44, 16 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[3-(trifluoromethoxy)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 159389488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).