6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one

C24H23FO5S2 — CID 142707160

IUPAC6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one
SMILESCCC(=O)CC(c1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23FO5S2/c1-2-20(26)18-23(19-12-6-3-7-13-19)24(25,31(27,28)21-14-8-4-9-15-21)32(29,30)22-16-10-5-11-17-22/h3-17,23H,2,18H2,1H3
InChIKeyYXUGJONGMATORF-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.71
Rot. Bonds9

About 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one

6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one (PubChem CID 142707160) has the molecular formula C24H23FO5S2 and a molecular weight of 474.58 g/mol. Its IUPAC name is 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one.

Molecular Properties

Compound Name6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one
PubChem CID142707160
Molecular FormulaC24H23FO5S2
Molecular Weight474.58 g/mol
Exact Mass474.10
IUPAC Name6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one
SMILESCCC(=O)CC(c1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C24H23FO5S2/c1-2-20(26)18-23(19-12-6-3-7-13-19)24(25,31(27,28)21-14-8-4-9-15-21)32(29,30)22-16-10-5-11-17-22/h3-17,23H,2,18H2,1H3
InChIKeyYXUGJONGMATORF-UHFFFAOYSA-N
XLogP4.71
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-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

4-((4-Methylphenyl)sulfonyl)-4-phenyl-2-butanone
CID 3127843
cis-(2R,3R)-2-(benzenesulfonyl)-2-benzyl-3-(2-oxopropyl)cyclohexan-1-one
CID 25163012
1-Propanone, 1-(4-((4-benzoylphenyl)thio)phenyl)-2-methyl-2-((4-methylphenyl)sulfonyl)-
CID 22019766
1,1-Diphenyl-3-(phenylsulfonyl)propan-2-one
CID 44437611
5-Phenyl-2-[(phenylsulfonyl)methyl]-1,3-cyclohexanedione
CID 2768905
(E)-3-(4-Fluorophenyl)-1-(4-(methylsulfonyl)phenyl)-2-phenylprop-2-en-1-one
CID 46934095
(Z)-3-(4-Fluorophenyl)-1-(4-(methylsulfonyl)phenyl)-2-phenylprop-2-en-1-one
CID 46934096
cis-(2R,3R)-2-(benzenesulfonyl)-2-methyl-3-(2-oxopropyl)cyclohexan-1-one
CID 25163011
S-phenyl 2-[(3Z)-6-fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]inden-1-yl]ethanethioate
CID 168289034
1,3-Diphenyl-3-(phenylsulfonyl)propan-1-one
CID 2851103
2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone
CID 379026
1-(Benzenesulfonyl)-1,3-diphenylpropan-2-one
CID 357758

Frequently Asked Questions

What is the IUPAC name of 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one?
The IUPAC name of 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one (CID 142707160) is 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one.
What is the SMILES notation for 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one?
The canonical SMILES for 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one is CCC(=O)CC(c1ccccc1)C(F)(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one?
The InChIKey is YXUGJONGMATORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO5S2/c1-2-20(26)18-23(19-12-6-3-7-13-19)24(25,31(27,28)21-14-8-4-9-15-21)32(29,30)22-16-10-5-11-17-22/h3-17,23H,2,18H2,1H3.
What are the key properties of 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one?
6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one has a molecular weight of 474.58 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-bis(benzenesulfonyl)-6-fluoro-5-phenylhexan-3-one is sourced from PubChem (CID 142707160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).