3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

C22H19F2N3O2S — CID 20972149

IUPAC3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1ccc2nc(CCc3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)[nH]c2c1
InChIInChI=1S/C22H19F2N3O2S/c1-14-2-10-20-21(12-14)26-22(25-20)11-5-15-3-6-16(7-4-15)27-30(28,29)17-8-9-18(23)19(24)13-17/h2-4,6-10,12-13,27H,5,11H2,1H3,(H,25,26)
InChIKeyGLGAPVLLQMPDRS-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.74
Rot. Bonds6

About 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide

3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 20972149) has the molecular formula C22H19F2N3O2S and a molecular weight of 427.48 g/mol. Its IUPAC name is 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID20972149
Molecular FormulaC22H19F2N3O2S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1ccc2nc(CCc3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)[nH]c2c1
InChIInChI=1S/C22H19F2N3O2S/c1-14-2-10-20-21(12-14)26-22(25-20)11-5-15-3-6-16(7-4-15)27-30(28,29)17-8-9-18(23)19(24)13-17/h2-4,6-10,12-13,27H,5,11H2,1H3,(H,25,26)
InChIKeyGLGAPVLLQMPDRS-UHFFFAOYSA-N
XLogP4.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide (CID 20972149) is 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is Cc1ccc2nc(CCc3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)[nH]c2c1.
What is the InChIKey of 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is GLGAPVLLQMPDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2S/c1-14-2-10-20-21(12-14)26-22(25-20)11-5-15-3-6-16(7-4-15)27-30(28,29)17-8-9-18(23)19(24)13-17/h2-4,6-10,12-13,27H,5,11H2,1H3,(H,25,26).
What are the key properties of 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide?
3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 427.48 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 20972149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).