methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate

C11H15NO7S2 — CID 103878746

IUPACmethyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H15NO7S2/c1-19-11(14)10(13)7-12-21(17,18)9-5-3-8(4-6-9)20(2,15)16/h3-6,10,12-13H,7H2,1-2H3
InChIKeyWZJUHBCSTYFSGE-UHFFFAOYSA-N
MW337.38 g/mol
LogP-1.10
Rot. Bonds6

About methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate

methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate (PubChem CID 103878746) has the molecular formula C11H15NO7S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
PubChem CID103878746
Molecular FormulaC11H15NO7S2
Molecular Weight337.38 g/mol
Exact Mass337.03
IUPAC Namemethyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H15NO7S2/c1-19-11(14)10(13)7-12-21(17,18)9-5-3-8(4-6-9)20(2,15)16/h3-6,10,12-13H,7H2,1-2H3
InChIKeyWZJUHBCSTYFSGE-UHFFFAOYSA-N
XLogP-1.10
TPSA126.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
methyl 3-[(4-amino-3-bromophenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213744
methyl 3-[(3-amino-4-ethylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213720
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
CID 113356677
methyl 2-bromo-3-[(4-bromophenyl)sulfonylamino]propanoate
CID 103493729
methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878696
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
methyl (2R)-3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 96543237
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylpropanoate
CID 71847844
N-[2-(diethylamino)propyl]-4-methylsulfonylbenzenesulfonamide
CID 42960034
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161
methyl 2-hydroxy-3-(methylsulfamoylamino)propanoate
CID 103491402

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate?
The IUPAC name of methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate (CID 103878746) is methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate is COC(=O)C(O)CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate?
The InChIKey is WZJUHBCSTYFSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7S2/c1-19-11(14)10(13)7-12-21(17,18)9-5-3-8(4-6-9)20(2,15)16/h3-6,10,12-13H,7H2,1-2H3.
What are the key properties of methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate?
methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate has a molecular weight of 337.38 g/mol, XLogP of -1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 103878746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).