4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

C21H17BrFN3O2S — CID 53063220

IUPAC4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1c(-c2ccc(F)cc2)nc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C21H17BrFN3O2S/c22-16-7-11-18(12-8-16)29(27,28)24-13-14-26-20-4-2-1-3-19(20)25-21(26)15-5-9-17(23)10-6-15/h1-12,24H,13-14H2
InChIKeyJDFITYHZLIENQX-UHFFFAOYSA-N
MW474.36 g/mol
LogP4.58
Rot. Bonds6

About 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide

4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (PubChem CID 53063220) has the molecular formula C21H17BrFN3O2S and a molecular weight of 474.36 g/mol. Its IUPAC name is 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
PubChem CID53063220
Molecular FormulaC21H17BrFN3O2S
Molecular Weight474.36 g/mol
Exact Mass473.02
IUPAC Name4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCn1c(-c2ccc(F)cc2)nc2ccccc21)c1ccc(Br)cc1
InChIInChI=1S/C21H17BrFN3O2S/c22-16-7-11-18(12-8-16)29(27,28)24-13-14-26-20-4-2-1-3-19(20)25-21(26)15-5-9-17(23)10-6-15/h1-12,24H,13-14H2
InChIKeyJDFITYHZLIENQX-UHFFFAOYSA-N
XLogP4.58
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.36
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide (CID 53063220) is 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is O=S(=O)(NCCn1c(-c2ccc(F)cc2)nc2ccccc21)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is JDFITYHZLIENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN3O2S/c22-16-7-11-18(12-8-16)29(27,28)24-13-14-26-20-4-2-1-3-19(20)25-21(26)15-5-9-17(23)10-6-15/h1-12,24H,13-14H2.
What are the key properties of 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide?
4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 474.36 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 53063220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).