3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide

C10H10FIO4S — CID 142879786

IUPAC3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)I
InChIInChI=1S/C10H10FIO4S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3
InChIKeyRRPVSCZNPDIATC-UHFFFAOYSA-N
MW372.16 g/mol
LogP1.31
Rot. Bonds4

About 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide

3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide (PubChem CID 142879786) has the molecular formula C10H10FIO4S and a molecular weight of 372.16 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide
PubChem CID142879786
Molecular FormulaC10H10FIO4S
Molecular Weight372.16 g/mol
Exact Mass371.93
IUPAC Name3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide
SMILESCC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)I
InChIInChI=1S/C10H10FIO4S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3
InChIKeyRRPVSCZNPDIATC-UHFFFAOYSA-N
XLogP1.31
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide (CID 142879786) is 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide is CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)I.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide?
The InChIKey is RRPVSCZNPDIATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIO4S/c1-10(14,9(12)13)6-17(15,16)8-4-2-7(11)3-5-8/h2-5,14H,6H2,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide?
3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide has a molecular weight of 372.16 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-2-hydroxy-2-methylpropanoyl iodide is sourced from PubChem (CID 142879786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).