5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid

C11H13FO5S — CID 22389750

IUPAC5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO5S/c12-8-1-3-10(4-2-8)18(16,17)6-5-9(13)7-11(14)15/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyPZOXRQYPVLTNAU-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.83
Rot. Bonds6

About 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid

5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid (PubChem CID 22389750) has the molecular formula C11H13FO5S and a molecular weight of 276.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid
PubChem CID22389750
Molecular FormulaC11H13FO5S
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H13FO5S/c12-8-1-3-10(4-2-8)18(16,17)6-5-9(13)7-11(14)15/h1-4,9,13H,5-7H2,(H,14,15)
InChIKeyPZOXRQYPVLTNAU-UHFFFAOYSA-N
XLogP0.83
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-fluorophenyl)-3-hydroxyhexanoic acid
CID 69088979
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4-(4-fluorophenoxy)-3-hydroxybutanoic acid
CID 22564574
(2S)-3-(4-fluorophenyl)sulfonyl-2-methylpropanoic acid
CID 28753239
3-hydroxy-5-(4-methylsulfonylphenyl)pentanoic acid
CID 174954090
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
5-(4-fluorophenyl)sulfonylpentane-1-sulfonic acid
CID 123168445
2-[4-(3-methylbutylsulfonyl)phenyl]acetic acid
CID 43440376
3-amino-N-[2-(4-fluorophenyl)sulfonylethyl]butanamide;hydrochloride
CID 119814314
1-(benzenesulfonyl)hept-6-en-3-ol
CID 164677064
4-(4-fluorophenyl)sulfonylbutan-1-amine
CID 28753396
3-(4-fluorophenyl)sulfonylpropanenitrile
CID 4739600

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid?
The IUPAC name of 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid (CID 22389750) is 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid?
The canonical SMILES for 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid is O=C(O)CC(O)CCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid?
The InChIKey is PZOXRQYPVLTNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO5S/c12-8-1-3-10(4-2-8)18(16,17)6-5-9(13)7-11(14)15/h1-4,9,13H,5-7H2,(H,14,15).
What are the key properties of 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid?
5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid has a molecular weight of 276.28 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonyl-3-hydroxypentanoic acid is sourced from PubChem (CID 22389750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).