ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate

C10H10BrClO5S — CID 71378315

IUPACethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C10H10BrClO5S/c1-2-16-10(13)6-17-7-3-4-9(8(11)5-7)18(12,14)15/h3-5H,2,6H2,1H3
InChIKeyGPEPXGLBOOPVTL-UHFFFAOYSA-N
MW357.61 g/mol
LogP2.32
Rot. Bonds5

About ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate

ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate (PubChem CID 71378315) has the molecular formula C10H10BrClO5S and a molecular weight of 357.61 g/mol. Its IUPAC name is ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate
PubChem CID71378315
Molecular FormulaC10H10BrClO5S
Molecular Weight357.61 g/mol
Exact Mass355.91
IUPAC Nameethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate
SMILESCCOC(=O)COc1ccc(S(=O)(=O)Cl)c(Br)c1
InChIInChI=1S/C10H10BrClO5S/c1-2-16-10(13)6-17-7-3-4-9(8(11)5-7)18(12,14)15/h3-5H,2,6H2,1H3
InChIKeyGPEPXGLBOOPVTL-UHFFFAOYSA-N
XLogP2.32
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
ethyl 2-(6-chlorosulfonylnaphthalen-2-yl)oxyacetate
CID 25158140
potassium;4-(2-ethoxy-2-oxoethoxy)-2-methoxybenzenesulfonic acid;hydride
CID 173316311
2-bromo-4-hexoxybenzenesulfonyl chloride
CID 98469013
ethyl 2-(3-chlorosulfonyl-2-methylphenoxy)acetate
CID 53408203
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178
ethyl 4-(4-bromo-3-methylphenoxy)-3-oxobutanoate
CID 83140810
ethyl 2-[4-(2-bromoethyl)-3-methoxyphenoxy]acetate
CID 18620082
ethyl 2-[4-(ethylamino)phenoxy]acetate
CID 69220443
ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate?
The IUPAC name of ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate (CID 71378315) is ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate?
The canonical SMILES for ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate is CCOC(=O)COc1ccc(S(=O)(=O)Cl)c(Br)c1.
What is the InChIKey of ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate?
The InChIKey is GPEPXGLBOOPVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO5S/c1-2-16-10(13)6-17-7-3-4-9(8(11)5-7)18(12,14)15/h3-5H,2,6H2,1H3.
What are the key properties of ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate?
ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate has a molecular weight of 357.61 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-bromo-4-chlorosulfonylphenoxy)acetate is sourced from PubChem (CID 71378315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).