methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate

C11H15NO5S — CID 47215115

IUPACmethyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H15NO5S/c1-12(2)18(14,15)10-6-4-9(5-7-10)17-8-11(13)16-3/h4-7H,8H2,1-3H3
InChIKeyZMSMVFAXJWDKRZ-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.49
Rot. Bonds5

About methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate

methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate (PubChem CID 47215115) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
PubChem CID47215115
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
SMILESCOC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C11H15NO5S/c1-12(2)18(14,15)10-6-4-9(5-7-10)17-8-11(13)16-3/h4-7H,8H2,1-3H3
InChIKeyZMSMVFAXJWDKRZ-UHFFFAOYSA-N
XLogP0.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(dimethylsulfamoyl)phenoxy]ethyl 2-(4-ethylphenoxy)acetate
CID 39415083
4-(2-hydroxyethoxy)-N,N-dimethylbenzenesulfonamide
CID 63102404
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
methyl 2-[4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]phenoxy]acetate
CID 55708813
2-[4-(dimethylsulfamoyl)phenoxy]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 43873509
methyl 2-(4-sulfanylphenoxy)acetate
CID 20770833
methyl 2-(4-fluorophenoxy)acetate
CID 580550
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1416689
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 55894640
methyl 2-(4-piperidin-1-ylsulfonylphenoxy)acetate
CID 1082948
methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
CID 126134738

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate?
The IUPAC name of methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate (CID 47215115) is methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate is COC(=O)COc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate?
The InChIKey is ZMSMVFAXJWDKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-12(2)18(14,15)10-6-4-9(5-7-10)17-8-11(13)16-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate?
methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate has a molecular weight of 273.31 g/mol, XLogP of 0.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate is sourced from PubChem (CID 47215115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).