methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate

C11H15NO7S2 — CID 82833635

IUPACmethyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NS(=O)(=O)CS(C)(=O)=O)c1
InChIInChI=1S/C11H15NO7S2/c1-18-11(13)7-19-10-5-3-4-9(6-10)12-21(16,17)8-20(2,14)15/h3-6,12H,7-8H2,1-2H3
InChIKeyNCGUSQDVAOVRLT-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.02
Rot. Bonds7

About methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate

methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate (PubChem CID 82833635) has the molecular formula C11H15NO7S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate
PubChem CID82833635
Molecular FormulaC11H15NO7S2
Molecular Weight337.38 g/mol
Exact Mass337.03
IUPAC Namemethyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate
SMILESCOC(=O)COc1cccc(NS(=O)(=O)CS(C)(=O)=O)c1
InChIInChI=1S/C11H15NO7S2/c1-18-11(13)7-19-10-5-3-4-9(6-10)12-21(16,17)8-20(2,14)15/h3-6,12H,7-8H2,1-2H3
InChIKeyNCGUSQDVAOVRLT-UHFFFAOYSA-N
XLogP-0.02
TPSA115.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-[3-(2-methoxy-2-oxoethoxy)phenoxy]acetate
CID 6420588
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
CID 43712925
methyl 2-[3-(but-3-ynoylamino)phenoxy]acetate
CID 114028677
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
methyl 4-[(3-methoxyphenyl)sulfamoyl]butanoate
CID 61457533
methyl 2-[3-(diethylcarbamoylamino)phenoxy]acetate
CID 112728907
methyl 2-[3-(cyclopropanecarbonylamino)phenoxy]acetate
CID 47170141
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]phenoxy]acetate
CID 973408
methyl 2-[3-[[2-(4-fluorophenoxy)acetyl]amino]phenoxy]acetate
CID 17341883
methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
CID 119284132
2-[3-(2-ethoxyethylsulfonylamino)phenoxy]acetic acid
CID 63245735

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate (CID 82833635) is methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate is COC(=O)COc1cccc(NS(=O)(=O)CS(C)(=O)=O)c1.
What is the InChIKey of methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate?
The InChIKey is NCGUSQDVAOVRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7S2/c1-18-11(13)7-19-10-5-3-4-9(6-10)12-21(16,17)8-20(2,14)15/h3-6,12H,7-8H2,1-2H3.
What are the key properties of methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate?
methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate has a molecular weight of 337.38 g/mol, XLogP of -0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(methylsulfonylmethylsulfonylamino)phenoxy]acetate is sourced from PubChem (CID 82833635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).