1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one

C21H18O4S — CID 166437676

IUPAC1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one
SMILESO=C(COc1ccccc1)C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18O4S/c22-20(16-25-18-12-6-2-7-13-18)21(17-10-4-1-5-11-17)26(23,24)19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyCZCOXWLCQOPHQR-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.85
Rot. Bonds7

About 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one

1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one (PubChem CID 166437676) has the molecular formula C21H18O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one
PubChem CID166437676
Molecular FormulaC21H18O4S
Molecular Weight366.44 g/mol
Exact Mass366.09
IUPAC Name1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one
SMILESO=C(COc1ccccc1)C(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18O4S/c22-20(16-25-18-12-6-2-7-13-18)21(17-10-4-1-5-11-17)26(23,24)19-14-8-3-9-15-19/h1-15,21H,16H2
InChIKeyCZCOXWLCQOPHQR-UHFFFAOYSA-N
XLogP3.85
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzenesulfonyl)prop-2-enoxybenzene
CID 138971446
ethyl 2-(benzenesulfonyl)-2-(4-methylphenyl)acetate
CID 11186213
1-(benzenesulfonyl)-4-methyl-1-phenylpent-3-en-2-one
CID 13200845
ethyl 2-(4-but-2-ynoxyphenyl)sulfonyl-2-phenylacetate
CID 11152965
benzenesulfonyl(phenyl)methanol
CID 174895803
2-phenoxyacetic acid;titanium
CID 174896747
3-phenoxy-2-sulfanylidenepropanoic acid
CID 54414786
2-(4-propan-2-ylsulfonylphenoxy)acetic acid
CID 82646763
2-[[benzenesulfonyl(phenyl)methyl]amino]acetic acid
CID 69392310
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-oxo-3-phenoxypropanoic acid
CID 18994126
1,1'-biphenyl;2-phenoxyacetamide
CID 160961256

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one?
The IUPAC name of 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one (CID 166437676) is 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one is O=C(COc1ccccc1)C(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one?
The InChIKey is CZCOXWLCQOPHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4S/c22-20(16-25-18-12-6-2-7-13-18)21(17-10-4-1-5-11-17)26(23,24)19-14-8-3-9-15-19/h1-15,21H,16H2.
What are the key properties of 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one?
1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one has a molecular weight of 366.44 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-phenoxy-1-phenylpropan-2-one is sourced from PubChem (CID 166437676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).