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

C11H15NO5S — CID 60639230

IUPACmethyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C11H15NO5S/c1-8(11(13)17-3)12-18(14,15)10-7-5-4-6-9(10)16-2/h4-8,12H,1-3H3
InChIKeyPUQMVCWEEQSNND-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.54
Rot. Bonds5

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

methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 60639230) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
PubChem CID60639230
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(C)NS(=O)(=O)c1ccccc1OC
InChIInChI=1S/C11H15NO5S/c1-8(11(13)17-3)12-18(14,15)10-7-5-4-6-9(10)16-2/h4-8,12H,1-3H3
InChIKeyPUQMVCWEEQSNND-UHFFFAOYSA-N
XLogP0.54
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874
2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
N-[(2R)-1-aminopropan-2-yl]-2-methoxybenzenesulfonamide
CID 104873312
N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzenesulfonamide
CID 79027643
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]propanamide
CID 43890558
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
methyl (2S)-2-[[(2-methoxyphenyl)sulfonylamino]methyl]-4-methylpentanoate
CID 95981928
methyl (2S)-2-[(2-chloro-3-pyridinyl)sulfonylamino]propanoate
CID 61150966
methyl (2S)-2-[(4-phenylphenyl)sulfonylamino]propanoate
CID 87040440
methyl 2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanoate
CID 54937802
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate (CID 60639230) is methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate is COC(=O)C(C)NS(=O)(=O)c1ccccc1OC.
What is the InChIKey of methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is PUQMVCWEEQSNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8(11(13)17-3)12-18(14,15)10-7-5-4-6-9(10)16-2/h4-8,12H,1-3H3.
What are the key properties of methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate?
methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 273.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 60639230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).