ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate

C11H12Cl2O5S — CID 175246826

IUPACethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)ccc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C11H12Cl2O5S/c1-3-18-10(14)6-7-8(12)4-5-9(11(7)17-2)19(13,15)16/h4-5H,3,6H2,1-2H3
InChIKeyCWVSJOXFNNDWGP-UHFFFAOYSA-N
MW327.19 g/mol
LogP2.38
Rot. Bonds5

About ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate

ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate (PubChem CID 175246826) has the molecular formula C11H12Cl2O5S and a molecular weight of 327.19 g/mol. Its IUPAC name is ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate
PubChem CID175246826
Molecular FormulaC11H12Cl2O5S
Molecular Weight327.19 g/mol
Exact Mass325.98
IUPAC Nameethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate
SMILESCCOC(=O)Cc1c(Cl)ccc(S(=O)(=O)Cl)c1OC
InChIInChI=1S/C11H12Cl2O5S/c1-3-18-10(14)6-7-8(12)4-5-9(11(7)17-2)19(13,15)16/h4-5H,3,6H2,1-2H3
InChIKeyCWVSJOXFNNDWGP-UHFFFAOYSA-N
XLogP2.38
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Chloro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 18782243
2-(6-Chloro-3-chlorosulfonyl-2-methoxyphenyl)propan-2-yl acetate
CID 132203435
1-(6-Chloro-3-chlorosulfonyl-2-methoxyphenyl)ethyl acetate
CID 132203595
(5-Chloro-8-chlorosulfonyl-4-methyl-2,3-dihydrochromen-4-yl) acetate
CID 132203614
5-Chloro-4-oxo-2,3-dihydrochromene-8-sulfonyl chloride
CID 132203617
3-Acetyl-4-chloro-2-methoxybenzenesulfonyl chloride
CID 138535603
Methyl 2-(3-chlorosulfonyl-2-methoxyphenyl)acetate
CID 140093654
[5-Chloro-8-chlorosulfonyl-4-(trideuteriomethyl)-2,3-dihydrochromen-4-yl] acetate
CID 142750550
Acetyl 6-chloro-3-chlorosulfonyl-2-methoxybenzoate
CID 146618723
2-[5-Chloro-8-chlorosulfonyl-4-(trideuteriomethyl)-2,3-dihydrochromen-4-yl]acetic acid
CID 151557203
(3-Chloro-6-chlorosulfonyl-2-methylphenyl) benzoate
CID 171096579
Propan-2-yl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate
CID 174946779

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate?
The IUPAC name of ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate (CID 175246826) is ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate is CCOC(=O)Cc1c(Cl)ccc(S(=O)(=O)Cl)c1OC.
What is the InChIKey of ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate?
The InChIKey is CWVSJOXFNNDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O5S/c1-3-18-10(14)6-7-8(12)4-5-9(11(7)17-2)19(13,15)16/h4-5H,3,6H2,1-2H3.
What are the key properties of ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate?
ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate has a molecular weight of 327.19 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-3-chlorosulfonyl-2-methoxyphenyl)acetate is sourced from PubChem (CID 175246826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).