3-(3-fluorophenyl)sulfonylpropane-1,2-diol

C9H11FO4S — CID 111969337

IUPAC3-(3-fluorophenyl)sulfonylpropane-1,2-diol
SMILESO=S(=O)(CC(O)CO)c1cccc(F)c1
InChIInChI=1S/C9H11FO4S/c10-7-2-1-3-9(4-7)15(13,14)6-8(12)5-11/h1-4,8,11-12H,5-6H2
InChIKeyCIAZALZESXUNEE-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.05
Rot. Bonds4

About 3-(3-fluorophenyl)sulfonylpropane-1,2-diol

3-(3-fluorophenyl)sulfonylpropane-1,2-diol (PubChem CID 111969337) has the molecular formula C9H11FO4S and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)sulfonylpropane-1,2-diol.

Molecular Properties

Compound Name3-(3-fluorophenyl)sulfonylpropane-1,2-diol
PubChem CID111969337
Molecular FormulaC9H11FO4S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name3-(3-fluorophenyl)sulfonylpropane-1,2-diol
SMILESO=S(=O)(CC(O)CO)c1cccc(F)c1
InChIInChI=1S/C9H11FO4S/c10-7-2-1-3-9(4-7)15(13,14)6-8(12)5-11/h1-4,8,11-12H,5-6H2
InChIKeyCIAZALZESXUNEE-UHFFFAOYSA-N
XLogP-0.05
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluorophenyl)sulfonylpropane-1,2-diol 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

3-[3-(trifluoromethyl)phenyl]sulfonylpropane-1,2-diol
CID 71977096
1-(3-fluorophenyl)sulfonyl-3-(propan-2-ylamino)propan-2-ol
CID 115477152
3,3,3-trifluoro-2-[(3-fluorophenyl)sulfonylmethyl]propanoic acid
CID 80996727
1-(3-fluorophenyl)sulfonyl-3-methoxy-3-methylbutan-2-ol
CID 114228872
1-fluoro-3-(iodomethylsulfonyl)benzene
CID 163495375
6-(3-fluorophenyl)sulfonylhexan-2-ol
CID 106585275
(E)-3-fluoro-2-[(3-fluorophenyl)sulfonylmethyl]prop-2-en-1-amine
CID 170972345
2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
CID 106584676
1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
CID 79022604
3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide
CID 115039399
3-(2,2-difluoroethylsulfonyl)phenol
CID 84687411
1-methoxy-3-[3-(trifluoromethyl)phenyl]sulfonylpropan-2-ol
CID 107508914

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)sulfonylpropane-1,2-diol?
The IUPAC name of 3-(3-fluorophenyl)sulfonylpropane-1,2-diol (CID 111969337) is 3-(3-fluorophenyl)sulfonylpropane-1,2-diol.
What is the SMILES notation for 3-(3-fluorophenyl)sulfonylpropane-1,2-diol?
The canonical SMILES for 3-(3-fluorophenyl)sulfonylpropane-1,2-diol is O=S(=O)(CC(O)CO)c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)sulfonylpropane-1,2-diol?
The InChIKey is CIAZALZESXUNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4S/c10-7-2-1-3-9(4-7)15(13,14)6-8(12)5-11/h1-4,8,11-12H,5-6H2.
What are the key properties of 3-(3-fluorophenyl)sulfonylpropane-1,2-diol?
3-(3-fluorophenyl)sulfonylpropane-1,2-diol has a molecular weight of 234.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)sulfonylpropane-1,2-diol is sourced from PubChem (CID 111969337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).