3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one

C19H16O4S — CID 2858731

IUPAC3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one
SMILESO=C(CC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O4S/c20-17(15-8-3-1-4-9-15)14-19(18-12-7-13-23-18)24(21,22)16-10-5-2-6-11-16/h1-13,19H,14H2
InChIKeyPZNSDUWMPLRQQY-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.07
Rot. Bonds6

About 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one

3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one (PubChem CID 2858731) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one
PubChem CID2858731
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Name3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one
SMILESO=C(CC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16O4S/c20-17(15-8-3-1-4-9-15)14-19(18-12-7-13-23-18)24(21,22)16-10-5-2-6-11-16/h1-13,19H,14H2
InChIKeyPZNSDUWMPLRQQY-UHFFFAOYSA-N
XLogP4.07
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-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 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one?
The IUPAC name of 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one (CID 2858731) is 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one.
What is the SMILES notation for 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one?
The canonical SMILES for 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one is O=C(CC(c1ccco1)S(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one?
The InChIKey is PZNSDUWMPLRQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S/c20-17(15-8-3-1-4-9-15)14-19(18-12-7-13-23-18)24(21,22)16-10-5-2-6-11-16/h1-13,19H,14H2.
What are the key properties of 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one?
3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one has a molecular weight of 340.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-3-(furan-2-yl)-1-phenylpropan-1-one is sourced from PubChem (CID 2858731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).