methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate

C11H15NO5S — CID 113356677

IUPACmethyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H15NO5S/c1-8-5-3-4-6-10(8)18(15,16)12-7-9(13)11(14)17-2/h3-6,9,12-13H,7H2,1-2H3
InChIKeyQJGHLQHEKREONT-UHFFFAOYSA-N
MW273.31 g/mol
LogP-0.19
Rot. Bonds5

About methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate

methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate (PubChem CID 113356677) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
PubChem CID113356677
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Namemethyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccccc1C
InChIInChI=1S/C11H15NO5S/c1-8-5-3-4-6-10(8)18(15,16)12-7-9(13)11(14)17-2/h3-6,9,12-13H,7H2,1-2H3
InChIKeyQJGHLQHEKREONT-UHFFFAOYSA-N
XLogP-0.19
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878696
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
CID 103878746
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 107216404
N-[2-(diethylamino)propyl]-2-methylbenzenesulfonamide
CID 112502252
(2-methylphenyl)sulfonylurea
CID 20975378
methyl 3-[(4-amino-3-bromophenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213744
methyl 3-[(2-chloro-4-nitrophenyl)sulfonylamino]-2-hydroxypropanoate
CID 103946902

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate (CID 113356677) is methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate is COC(=O)C(O)CNS(=O)(=O)c1ccccc1C.
What is the InChIKey of methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate?
The InChIKey is QJGHLQHEKREONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-8-5-3-4-6-10(8)18(15,16)12-7-9(13)11(14)17-2/h3-6,9,12-13H,7H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate?
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate has a molecular weight of 273.31 g/mol, XLogP of -0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 113356677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).