1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one

C20H17FO4S — CID 3135157

IUPAC1-(4-fluorophenyl)-3-(furan-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=C(C=C2)F)C3=CC=CO3
InChIInChI=1S/C20H17FO4S/c1-14-4-10-17(11-5-14)26(23,24)20(19-3-2-12-25-19)13-18(22)15-6-8-16(21)9-7-15/h2-12,20H,13H2,1H3
InChIKeyDZYITXMCRDTSGD-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.60
Rot. Bonds6

About 1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one

1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one (PubChem CID 3135157) has the molecular formula C20H17FO4S and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(furan-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one.

Molecular Properties

Compound Name1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one
PubChem CID3135157
Molecular FormulaC20H17FO4S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name1-(4-fluorophenyl)-3-(furan-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
SMILESCC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=C(C=C2)F)C3=CC=CO3
InChIInChI=1S/C20H17FO4S/c1-14-4-10-17(11-5-14)26(23,24)20(19-3-2-12-25-19)13-18(22)15-6-8-16(21)9-7-15/h2-12,20H,13H2,1H3
InChIKeyDZYITXMCRDTSGD-UHFFFAOYSA-N
XLogP3.60
TPSA72.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity569

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one 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 1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one?
The IUPAC name of 1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one (CID 3135157) is 1-(4-fluorophenyl)-3-(furan-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one.
What is the SMILES notation for 1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one?
The canonical SMILES for 1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one is CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)C2=CC=C(C=C2)F)C3=CC=CO3.
What is the InChIKey of 1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one?
The InChIKey is DZYITXMCRDTSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FO4S/c1-14-4-10-17(11-5-14)26(23,24)20(19-3-2-12-25-19)13-18(22)15-6-8-16(21)9-7-15/h2-12,20H,13H2,1H3.
What are the key properties of 1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one?
1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one has a molecular weight of 372.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Fluorophenyl)-3-(furan-2-yl)-3-tosylpropan-1-one is sourced from PubChem (CID 3135157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).