methyl 3-(benzenesulfonamido)-2-hydroxypropanoate

C10H13NO5S — CID 103878768

IUPACmethyl 3-(benzenesulfonamido)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO5S/c1-16-10(13)9(12)7-11-17(14,15)8-5-3-2-4-6-8/h2-6,9,11-12H,7H2,1H3
InChIKeyCMWZOXONJQSSBZ-UHFFFAOYSA-N
MW259.28 g/mol
LogP-0.50
Rot. Bonds5

About methyl 3-(benzenesulfonamido)-2-hydroxypropanoate

methyl 3-(benzenesulfonamido)-2-hydroxypropanoate (PubChem CID 103878768) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is methyl 3-(benzenesulfonamido)-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-(benzenesulfonamido)-2-hydroxypropanoate
PubChem CID103878768
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Namemethyl 3-(benzenesulfonamido)-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H13NO5S/c1-16-10(13)9(12)7-11-17(14,15)8-5-3-2-4-6-8/h2-6,9,11-12H,7H2,1H3
InChIKeyCMWZOXONJQSSBZ-UHFFFAOYSA-N
XLogP-0.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
CID 103878746
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
CID 113356677
methyl 3-[(4-amino-3-bromophenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213744
methyl 3-[(3-amino-4-ethylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213720
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
N-[2-(aminomethoxy)propyl]benzenesulfonamide
CID 172608370
3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 107216404
N-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]benzenesulfonamide
CID 6930429
methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878696
N-[2-(methylamino)propyl]benzenesulfonamide
CID 103512552
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
3-(benzenesulfonamido)-2-phenoxypropanoic acid
CID 21178348

Frequently Asked Questions

What is the IUPAC name of methyl 3-(benzenesulfonamido)-2-hydroxypropanoate?
The IUPAC name of methyl 3-(benzenesulfonamido)-2-hydroxypropanoate (CID 103878768) is methyl 3-(benzenesulfonamido)-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-(benzenesulfonamido)-2-hydroxypropanoate?
The canonical SMILES for methyl 3-(benzenesulfonamido)-2-hydroxypropanoate is COC(=O)C(O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 3-(benzenesulfonamido)-2-hydroxypropanoate?
The InChIKey is CMWZOXONJQSSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-16-10(13)9(12)7-11-17(14,15)8-5-3-2-4-6-8/h2-6,9,11-12H,7H2,1H3.
What are the key properties of methyl 3-(benzenesulfonamido)-2-hydroxypropanoate?
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate has a molecular weight of 259.28 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(benzenesulfonamido)-2-hydroxypropanoate is sourced from PubChem (CID 103878768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).