2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde

C14H9FN2O4S — CID 86631647

IUPAC2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2ccoc2)c(-c2ccccc2F)n1
InChIInChI=1S/C14H9FN2O4S/c15-13-4-2-1-3-12(13)14-16-10(8-18)7-17(14)22(19,20)11-5-6-21-9-11/h1-9H
InChIKeyCHFPRJQYFSOJLY-UHFFFAOYSA-N
MW320.30 g/mol
LogP2.33
Rot. Bonds4

About 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde

2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde (PubChem CID 86631647) has the molecular formula C14H9FN2O4S and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde
PubChem CID86631647
Molecular FormulaC14H9FN2O4S
Molecular Weight320.30 g/mol
Exact Mass320.03
IUPAC Name2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde
SMILESO=Cc1cn(S(=O)(=O)c2ccoc2)c(-c2ccccc2F)n1
InChIInChI=1S/C14H9FN2O4S/c15-13-4-2-1-3-12(13)14-16-10(8-18)7-17(14)22(19,20)11-5-6-21-9-11/h1-9H
InChIKeyCHFPRJQYFSOJLY-UHFFFAOYSA-N
XLogP2.33
TPSA82.17 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde 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 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde?
The IUPAC name of 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde (CID 86631647) is 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde?
The canonical SMILES for 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde is O=Cc1cn(S(=O)(=O)c2ccoc2)c(-c2ccccc2F)n1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde?
The InChIKey is CHFPRJQYFSOJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O4S/c15-13-4-2-1-3-12(13)14-16-10(8-18)7-17(14)22(19,20)11-5-6-21-9-11/h1-9H.
What are the key properties of 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde?
2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde has a molecular weight of 320.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(furan-3-ylsulfonyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 86631647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).