3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one

C19H15FO4S — CID 660889

IUPAC3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H15FO4S/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
InChIKeyPARPWJYUKQIGHB-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.21
Rot. Bonds6

About 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one

3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one (PubChem CID 660889) has the molecular formula C19H15FO4S and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one
PubChem CID660889
Molecular FormulaC19H15FO4S
Molecular Weight358.39 g/mol
Exact Mass358.07
IUPAC Name3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one
SMILESO=C(CC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H15FO4S/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
InChIKeyPARPWJYUKQIGHB-UHFFFAOYSA-N
XLogP4.21
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.21
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-(furan-2-yl)propan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one (CID 660889) is 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one is O=C(CC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of 3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one?
The InChIKey is PARPWJYUKQIGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO4S/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-(furan-2-yl)propan-1-one?
3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-(furan-2-yl)propan-1-one has a molecular weight of 358.39 g/mol, XLogP of 4.21, 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-(furan-2-yl)propan-1-one is sourced from PubChem (CID 660889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).