3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid

C10H11FO5S — CID 11557985

IUPAC3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FO5S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13)
InChIKeyDSXJLPDNNPNIRF-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.44
Rot. Bonds4

About 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid

3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid (PubChem CID 11557985) has the molecular formula C10H11FO5S and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid
PubChem CID11557985
Molecular FormulaC10H11FO5S
Molecular Weight262.26 g/mol
Exact Mass262.03
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H11FO5S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13)
InChIKeyDSXJLPDNNPNIRF-UHFFFAOYSA-N
XLogP0.44
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid (CID 11557985) is 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid is CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid?
The InChIKey is DSXJLPDNNPNIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO5S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3,(H,12,13).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid?
3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid has a molecular weight of 262.26 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 11557985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).