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

C11H13FO5S — CID 22646109

IUPAC5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H13FO5S/c12-8-2-1-3-10(6-8)18(16,17)5-4-9(13)7-11(14)15/h1-3,6,9,13H,4-5,7H2,(H,14,15)
InChIKeyNNOMLDHZGZAAOL-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.83
Rot. Bonds6

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

5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid (PubChem CID 22646109) has the molecular formula C11H13FO5S and a molecular weight of 276.28 g/mol. Its IUPAC name is 5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid
PubChem CID22646109
Molecular FormulaC11H13FO5S
Molecular Weight276.28 g/mol
Exact Mass276.05
IUPAC Name5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid
SMILESO=C(O)CC(O)CCS(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C11H13FO5S/c12-8-2-1-3-10(6-8)18(16,17)5-4-9(13)7-11(14)15/h1-3,6,9,13H,4-5,7H2,(H,14,15)
InChIKeyNNOMLDHZGZAAOL-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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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid?
The IUPAC name of 5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid (CID 22646109) is 5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid.
What is the SMILES notation for 5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid?
The canonical SMILES for 5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid is O=C(O)CC(O)CCS(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid?
The InChIKey is NNOMLDHZGZAAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO5S/c12-8-2-1-3-10(6-8)18(16,17)5-4-9(13)7-11(14)15/h1-3,6,9,13H,4-5,7H2,(H,14,15).
What are the key properties of 5-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid?
5-(3-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-(3-fluorophenyl)sulfonyl-3-hydroxypentanoic acid is sourced from PubChem (CID 22646109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).