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

C21H17FN4O2S — CID 70003030

IUPAC2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H17FN4O2S/c1-23-29(27,28)19-5-3-2-4-18(19)26-14-25-20(15-6-8-17(22)9-7-15)21(26)16-10-12-24-13-11-16/h2-14,23H,1H3
InChIKeySWAAFAUJTSJZDQ-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.65
Rot. Bonds5

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

2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide (PubChem CID 70003030) 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-ylimidazol-1-yl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide
PubChem CID70003030
Molecular FormulaC21H17FN4O2S
Molecular Weight408.46 g/mol
Exact Mass408.11
IUPAC Name2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C21H17FN4O2S/c1-23-29(27,28)19-5-3-2-4-18(19)26-14-25-20(15-6-8-17(22)9-7-15)21(26)16-10-12-24-13-11-16/h2-14,23H,1H3
InChIKeySWAAFAUJTSJZDQ-UHFFFAOYSA-N
XLogP3.65
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide (CID 70003030) is 2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1-n1cnc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide?
The InChIKey is SWAAFAUJTSJZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2S/c1-23-29(27,28)19-5-3-2-4-18(19)26-14-25-20(15-6-8-17(22)9-7-15)21(26)16-10-12-24-13-11-16/h2-14,23H,1H3.
What are the key properties of 2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide?
2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide has a molecular weight of 408.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 70003030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).