methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate

C11H15NO5S — CID 60639551

IUPACmethyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C11H15NO5S/c1-16-9-5-3-4-6-10(9)18(14,15)12-8-7-11(13)17-2/h3-6,12H,7-8H2,1-2H3
InChIKeyZMCBQCJXSHGOKW-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.54
Rot. Bonds6

About methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate

methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 60639551) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
PubChem CID60639551
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)CCNS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C11H15NO5S/c1-16-9-5-3-4-6-10(9)18(14,15)12-8-7-11(13)17-2/h3-6,12H,7-8H2,1-2H3
InChIKeyZMCBQCJXSHGOKW-UHFFFAOYSA-N
XLogP0.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-aminophenyl)sulfonylamino]propanoate
CID 43665938
methyl 3-[(5-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665927
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106843929
N-(3-aminopropyl)-2-methoxybenzenesulfonamide
CID 43605820
N-[2-[(2-methoxyphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 47113517
2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 47104188
methyl 3-[(3-amino-4-methoxyphenyl)sulfonylamino]propanoate
CID 43665935
2-methoxy-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 47091483
N-(3-ethoxypropyl)-2-methoxybenzenesulfonamide
CID 47104251
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate (CID 60639551) is methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate is COC(=O)CCNS(=O)(=O)c1ccccc1OC.
What is the InChIKey of methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is ZMCBQCJXSHGOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-16-9-5-3-4-6-10(9)18(14,15)12-8-7-11(13)17-2/h3-6,12H,7-8H2,1-2H3.
What are the key properties of methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate?
methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 273.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 60639551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).