4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide

C21H15ClFN3O2S — CID 22998004

IUPAC4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)cn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClFN3O2S/c22-16-5-9-18(10-6-16)26-13-20(14-1-7-17(23)8-2-14)25-21(26)15-3-11-19(12-4-15)29(24,27)28/h1-13H,(H2,24,27,28)
InChIKeyWTDUTUMCCRUDLH-UHFFFAOYSA-N
MW427.89 g/mol
LogP4.65
Rot. Bonds4

About 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide

4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide (PubChem CID 22998004) has the molecular formula C21H15ClFN3O2S and a molecular weight of 427.89 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide
PubChem CID22998004
Molecular FormulaC21H15ClFN3O2S
Molecular Weight427.89 g/mol
Exact Mass427.06
IUPAC Name4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)cn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H15ClFN3O2S/c22-16-5-9-18(10-6-16)26-13-20(14-1-7-17(23)8-2-14)25-21(26)15-3-11-19(12-4-15)29(24,27)28/h1-13H,(H2,24,27,28)
InChIKeyWTDUTUMCCRUDLH-UHFFFAOYSA-N
XLogP4.65
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide (CID 22998004) is 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(-c3ccc(F)cc3)cn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide?
The InChIKey is WTDUTUMCCRUDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClFN3O2S/c22-16-5-9-18(10-6-16)26-13-20(14-1-7-17(23)8-2-14)25-21(26)15-3-11-19(12-4-15)29(24,27)28/h1-13H,(H2,24,27,28).
What are the key properties of 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide?
4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide has a molecular weight of 427.89 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-4-(4-fluorophenyl)imidazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 22998004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).