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

C63H51F6N9O6S3 — CID 158218644

IUPAC2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cc(F)ccc3F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)c(F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/3C21H17F2N3O2S/c22-16-6-3-4-13(21(16)23)9-11-20-25-17-10-8-14(12-18(17)26-20)15-5-1-2-7-19(15)29(24,27)28;22-15-7-8-17(23)14(11-15)6-10-21-25-18-9-5-13(12-19(18)26-21)16-3-1-2-4-20(16)29(24,27)28;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/h1-8,10,12H,9,11H2,(H,25,26)(H2,24,27,28);2*1-5,7-9,11-12H,6,10H2,(H,25,26)(H2,24,27,28)
InChIKeyGCYYASNAJQTREM-UHFFFAOYSA-N
MW1240.35 g/mol
LogP11.82
Rot. Bonds15

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

2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (PubChem CID 158218644) has the molecular formula C63H51F6N9O6S3 and a molecular weight of 1240.35 g/mol. Its IUPAC name is 2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
PubChem CID158218644
Molecular FormulaC63H51F6N9O6S3
Molecular Weight1240.35 g/mol
Exact Mass1239.30
IUPAC Name2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cc(F)ccc3F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)c(F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cccc(F)c3F)[nH]c2c1
InChIInChI=1S/3C21H17F2N3O2S/c22-16-6-3-4-13(21(16)23)9-11-20-25-17-10-8-14(12-18(17)26-20)15-5-1-2-7-19(15)29(24,27)28;22-15-7-8-17(23)14(11-15)6-10-21-25-18-9-5-13(12-19(18)26-21)16-3-1-2-4-20(16)29(24,27)28;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/h1-8,10,12H,9,11H2,(H,25,26)(H2,24,27,28);2*1-5,7-9,11-12H,6,10H2,(H,25,26)(H2,24,27,28)
InChIKeyGCYYASNAJQTREM-UHFFFAOYSA-N
XLogP11.82
TPSA266.52 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001240.35
LogP ≤ 511.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

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

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Related Compounds

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
2-[2-[2-(3-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53345760
2-[2-[(2,3,4-trifluorophenoxy)methyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24960901
2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165672
2-[2-[(E)-2-(2,5-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59008051
2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]-1,1,1-trifluoromethanesulfonamide
CID 159756757
2-[6-(2-fluorophenyl)-1H-benzimidazol-2-yl]ethanamine;dihydrochloride
CID 155971100
N-[2-[2-[2-(4-chlorophenyl)ethyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide
CID 24758473
2-[2-[(E)-2-(5-bromo-2-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 59007906
2-[2-[2-(3-chloro-4-fluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165606
2-[2-[2-(3-chlorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165745
2-[2-[(E)-2-(2,4-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]-N-methylbenzenesulfonamide;N-methyl-2-[2-[(E)-2-(4-methylsulfonylphenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide;N-methyl-2-[2-[2-[3-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 158624120

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide (CID 158218644) is 2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cc(F)ccc3F)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3ccc(F)c(F)c3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc(CCc3cccc(F)c3F)[nH]c2c1.
What is the InChIKey of 2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is GCYYASNAJQTREM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H17F2N3O2S/c22-16-6-3-4-13(21(16)23)9-11-20-25-17-10-8-14(12-18(17)26-20)15-5-1-2-7-19(15)29(24,27)28;22-15-7-8-17(23)14(11-15)6-10-21-25-18-9-5-13(12-19(18)26-21)16-3-1-2-4-20(16)29(24,27)28;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/h1-8,10,12H,9,11H2,(H,25,26)(H2,24,27,28);2*1-5,7-9,11-12H,6,10H2,(H,25,26)(H2,24,27,28).
What are the key properties of 2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide?
2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 1240.35 g/mol, XLogP of 11.82, 15 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(2,5-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-(3,4-difluorophenyl)ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 158218644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).