3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one

C19H15FO3S2 — CID 2883936

IUPAC3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CC(c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H15FO3S2/c20-15-10-8-14(9-11-15)17(21)13-19(18-7-4-12-24-18)25(22,23)16-5-2-1-3-6-16/h1-12,19H,13H2
InChIKeyQWDFOVGGIOSCRM-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.68
Rot. Bonds6

About 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one

3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 2883936) has the molecular formula C19H15FO3S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
PubChem CID2883936
Molecular FormulaC19H15FO3S2
Molecular Weight374.46 g/mol
Exact Mass374.04
IUPAC Name3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
SMILESO=C(CC(c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H15FO3S2/c20-15-10-8-14(9-11-15)17(21)13-19(18-7-4-12-24-18)25(22,23)16-5-2-1-3-6-16/h1-12,19H,13H2
InChIKeyQWDFOVGGIOSCRM-UHFFFAOYSA-N
XLogP4.68
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one (CID 2883936) is 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one is O=C(CC(c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is QWDFOVGGIOSCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO3S2/c20-15-10-8-14(9-11-15)17(21)13-19(18-7-4-12-24-18)25(22,23)16-5-2-1-3-6-16/h1-12,19H,13H2.
What are the key properties of 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one?
3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 374.46 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 2883936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).