[(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate

C14H17ClO6S — CID 88611360

IUPAC[(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate
SMILESCC(OS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C14H17ClO6S/c1-10(14(16)20-9-12-3-2-8-19-12)21-22(17,18)13-6-4-11(15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3/t10?,12-/m0/s1
InChIKeyJAEWQTJDVVQVMN-KFJBMODSSA-N
MW348.80 g/mol
LogP2.16
Rot. Bonds6

About [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate

[(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate (PubChem CID 88611360) has the molecular formula C14H17ClO6S and a molecular weight of 348.80 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate
PubChem CID88611360
Molecular FormulaC14H17ClO6S
Molecular Weight348.80 g/mol
Exact Mass348.04
IUPAC Name[(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate
SMILESCC(OS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC[C@@H]1CCCO1
InChIInChI=1S/C14H17ClO6S/c1-10(14(16)20-9-12-3-2-8-19-12)21-22(17,18)13-6-4-11(15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3/t10?,12-/m0/s1
InChIKeyJAEWQTJDVVQVMN-KFJBMODSSA-N
XLogP2.16
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate?
The IUPAC name of [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate (CID 88611360) is [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate.
What is the SMILES notation for [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate?
The canonical SMILES for [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate is CC(OS(=O)(=O)c1ccc(Cl)cc1)C(=O)OC[C@@H]1CCCO1.
What is the InChIKey of [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate?
The InChIKey is JAEWQTJDVVQVMN-KFJBMODSSA-N. The full InChI is InChI=1S/C14H17ClO6S/c1-10(14(16)20-9-12-3-2-8-19-12)21-22(17,18)13-6-4-11(15)5-7-13/h4-7,10,12H,2-3,8-9H2,1H3/t10?,12-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate?
[(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate has a molecular weight of 348.80 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]methyl 2-(4-chlorophenyl)sulfonyloxypropanoate is sourced from PubChem (CID 88611360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).