2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide

C21H17FN4O2S — CID 70074952

IUPAC2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H17FN4O2S/c1-23-29(27,28)18-5-3-2-4-17(18)21-25-19(14-6-8-16(22)9-7-14)20(26-21)15-10-12-24-13-11-15/h2-13,23H,1H3,(H,25,26)
InChIKeySTFDHTDWTQLCCA-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.85
Rot. Bonds5

About 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide

2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide (PubChem CID 70074952) has the molecular formula C21H17FN4O2S and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide
PubChem CID70074952
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1
InChIInChI=1S/C21H17FN4O2S/c1-23-29(27,28)18-5-3-2-4-17(18)21-25-19(14-6-8-16(22)9-7-14)20(26-21)15-10-12-24-13-11-15/h2-13,23H,1H3,(H,25,26)
InChIKeySTFDHTDWTQLCCA-UHFFFAOYSA-N
XLogP3.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide (CID 70074952) is 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)c(-c2ccncc2)[nH]1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide?
The InChIKey is STFDHTDWTQLCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-23-29(27,28)18-5-3-2-4-17(18)21-25-19(14-6-8-16(22)9-7-14)20(26-21)15-10-12-24-13-11-15/h2-13,23H,1H3,(H,25,26).
What are the key properties of 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide?
2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide has a molecular weight of 408.46 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 70074952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).