methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate

C15H13ClO5S — CID 7937647

IUPACmethyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO5S/c1-20-15(17)10-11-6-8-12(9-7-11)21-22(18,19)14-5-3-2-4-13(14)16/h2-9H,10H2,1H3
InChIKeyMVNKSHPCSXASEM-UHFFFAOYSA-N
MW340.78 g/mol
LogP2.82
Rot. Bonds5

About methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate

methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate (PubChem CID 7937647) has the molecular formula C15H13ClO5S and a molecular weight of 340.78 g/mol. Its IUPAC name is methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate
PubChem CID7937647
Molecular FormulaC15H13ClO5S
Molecular Weight340.78 g/mol
Exact Mass340.02
IUPAC Namemethyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(OS(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H13ClO5S/c1-20-15(17)10-11-6-8-12(9-7-11)21-22(18,19)14-5-3-2-4-13(14)16/h2-9H,10H2,1H3
InChIKeyMVNKSHPCSXASEM-UHFFFAOYSA-N
XLogP2.82
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.78
LogP ≤ 52.82
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

methyl 2-[4-[2-(trifluoromethoxy)phenyl]sulfonyloxyphenyl]acetate
CID 31068739
methyl 3-[4-(2-methoxy-2-oxoethyl)phenoxy]sulfonyl-4-methylbenzoate
CID 55565421
CID 172801156
CID 172801156
methyl 2-(4-phenylmethoxyphenyl)acetate
CID 2756645
5,6,7,8-tetrahydronaphthalen-2-yl 2-chlorobenzenesulfonate
CID 110504273
methyl 4-(2-chlorophenyl)sulfonylbutanoate
CID 43378385
(2-methoxyphenyl) 2-chlorobenzenesulfonate
CID 26946769
(3,4-difluorophenyl) 2-chlorobenzenesulfonate
CID 26943968
methane;methyl 2-(4-hydroxyphenyl)acetate;methyl 2-[4-(trifluoromethylsulfonyloxy)phenyl]acetate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 160906963
carbon dioxide;methyl 2-phenylacetate
CID 159198536
methyl 2-[4-[[bromo-(2-chlorophenyl)carbamoyl]amino]phenyl]acetate
CID 142036150
methyl 2-[4-[chloro(phenyl)methyl]phenyl]acetate
CID 10826221

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate?
The IUPAC name of methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate (CID 7937647) is methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate is COC(=O)Cc1ccc(OS(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate?
The InChIKey is MVNKSHPCSXASEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO5S/c1-20-15(17)10-11-6-8-12(9-7-11)21-22(18,19)14-5-3-2-4-13(14)16/h2-9H,10H2,1H3.
What are the key properties of methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate?
methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate has a molecular weight of 340.78 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-chlorophenyl)sulfonyloxyphenyl]acetate is sourced from PubChem (CID 7937647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).