[(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate

C11H13ClO4S — CID 102522649

IUPAC[(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO4S/c1-8(16-9(2)13)7-17(14,15)11-5-3-10(12)4-6-11/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyOYBGPCGTKZATGA-MRVPVSSYSA-N
MW276.74 g/mol
LogP2.07
Rot. Bonds4

About [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate

[(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate (PubChem CID 102522649) has the molecular formula C11H13ClO4S and a molecular weight of 276.74 g/mol. Its IUPAC name is [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate.

Molecular Properties

Compound Name[(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate
PubChem CID102522649
Molecular FormulaC11H13ClO4S
Molecular Weight276.74 g/mol
Exact Mass276.02
IUPAC Name[(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate
SMILESCC(=O)O[C@H](C)CS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H13ClO4S/c1-8(16-9(2)13)7-17(14,15)11-5-3-10(12)4-6-11/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyOYBGPCGTKZATGA-MRVPVSSYSA-N
XLogP2.07
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate?
The IUPAC name of [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate (CID 102522649) is [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate.
What is the SMILES notation for [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate?
The canonical SMILES for [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate is CC(=O)O[C@H](C)CS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate?
The InChIKey is OYBGPCGTKZATGA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClO4S/c1-8(16-9(2)13)7-17(14,15)11-5-3-10(12)4-6-11/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate?
[(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate has a molecular weight of 276.74 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-chlorophenyl)sulfonylpropan-2-yl] acetate is sourced from PubChem (CID 102522649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).