3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

C22H19F2N3O2S — CID 53063208

IUPAC3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H19F2N3O2S/c1-15-6-8-16(9-7-15)22-26-20-4-2-3-5-21(20)27(22)13-12-25-30(28,29)17-10-11-18(23)19(24)14-17/h2-11,14,25H,12-13H2,1H3
InChIKeyCDQFIWMIMBZCDW-UHFFFAOYSA-N
MW427.48 g/mol
LogP4.27
Rot. Bonds6

About 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 53063208) has the molecular formula C22H19F2N3O2S and a molecular weight of 427.48 g/mol. Its IUPAC name is 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID53063208
Molecular FormulaC22H19F2N3O2S
Molecular Weight427.48 g/mol
Exact Mass427.12
IUPAC Name3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C22H19F2N3O2S/c1-15-6-8-16(9-7-15)22-26-20-4-2-3-5-21(20)27(22)13-12-25-30(28,29)17-10-11-18(23)19(24)14-17/h2-11,14,25H,12-13H2,1H3
InChIKeyCDQFIWMIMBZCDW-UHFFFAOYSA-N
XLogP4.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (CID 53063208) is 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is Cc1ccc(-c2nc3ccccc3n2CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is CDQFIWMIMBZCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N3O2S/c1-15-6-8-16(9-7-15)22-26-20-4-2-3-5-21(20)27(22)13-12-25-30(28,29)17-10-11-18(23)19(24)14-17/h2-11,14,25H,12-13H2,1H3.
What are the key properties of 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 427.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53063208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).