methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate

C15H11Cl3O5S — CID 87948366

IUPACmethyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate
SMILESCOC(=O)[C@H](OS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H11Cl3O5S/c1-22-15(19)14(10-4-2-3-5-11(10)17)23-24(20,21)13-8-9(16)6-7-12(13)18/h2-8,14H,1H3/t14-/m1/s1
InChIKeyWRNCAJVYSZFDPH-CQSZACIVSA-N
MW409.67 g/mol
LogP4.27
Rot. Bonds5

About methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate

methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate (PubChem CID 87948366) has the molecular formula C15H11Cl3O5S and a molecular weight of 409.67 g/mol. Its IUPAC name is methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate
PubChem CID87948366
Molecular FormulaC15H11Cl3O5S
Molecular Weight409.67 g/mol
Exact Mass407.94
IUPAC Namemethyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate
SMILESCOC(=O)[C@H](OS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H11Cl3O5S/c1-22-15(19)14(10-4-2-3-5-11(10)17)23-24(20,21)13-8-9(16)6-7-12(13)18/h2-8,14H,1H3/t14-/m1/s1
InChIKeyWRNCAJVYSZFDPH-CQSZACIVSA-N
XLogP4.27
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.67
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 2,5-dichlorobenzenesulfonate
CID 87077321
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
methyl 2-[(2,5-dichlorophenyl)sulfonylamino]butanoate
CID 113253329
methyl 2-amino-2-(2,5-dichlorophenyl)acetate;hydrochloride
CID 162344729
(2-ethoxyphenyl) 2,5-dichlorobenzenesulfonate
CID 26948914
(2-methoxy-2-oxo-1-phenylethyl) 4-chloro-3-methylsulfonylbenzoate
CID 43023367
2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one
CID 64644275
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
(2-chlorophenyl)methyl 2-[(2,5-dichlorophenyl)sulfonylamino]acetate
CID 1218599
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
methyl 2-(2-chlorophenyl)-3-methoxypropanoate
CID 117244467

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate?
The IUPAC name of methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate (CID 87948366) is methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate.
What is the SMILES notation for methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate?
The canonical SMILES for methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate is COC(=O)[C@H](OS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1Cl.
What is the InChIKey of methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate?
The InChIKey is WRNCAJVYSZFDPH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H11Cl3O5S/c1-22-15(19)14(10-4-2-3-5-11(10)17)23-24(20,21)13-8-9(16)6-7-12(13)18/h2-8,14H,1H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate?
methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate has a molecular weight of 409.67 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(2-chlorophenyl)-2-(2,5-dichlorophenyl)sulfonyloxyacetate is sourced from PubChem (CID 87948366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).