methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate

C11H14FNO5S — CID 103878696

IUPACmethyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1cc(C)ccc1F
InChIInChI=1S/C11H14FNO5S/c1-7-3-4-8(12)10(5-7)19(16,17)13-6-9(14)11(15)18-2/h3-5,9,13-14H,6H2,1-2H3
InChIKeyKLHOIYNCUIHTRU-UHFFFAOYSA-N
MW291.30 g/mol
LogP-0.05
Rot. Bonds5

About methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate

methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate (PubChem CID 103878696) has the molecular formula C11H14FNO5S and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
PubChem CID103878696
Molecular FormulaC11H14FNO5S
Molecular Weight291.30 g/mol
Exact Mass291.06
IUPAC Namemethyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNS(=O)(=O)c1cc(C)ccc1F
InChIInChI=1S/C11H14FNO5S/c1-7-3-4-8(12)10(5-7)19(16,17)13-6-9(14)11(15)18-2/h3-5,9,13-14H,6H2,1-2H3
InChIKeyKLHOIYNCUIHTRU-UHFFFAOYSA-N
XLogP-0.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168147
methyl 3-[(5-chloro-2-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 103878708
2-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]butanoic acid
CID 65222888
3-fluoro-4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]benzoic acid
CID 107216404
methyl 2-hydroxy-3-[(2-methylphenyl)sulfonylamino]propanoate
CID 113356677
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385
4-[(2-hydroxy-3-methoxy-3-oxopropyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 107216418
methyl 3-[(5-amino-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxypropanoate
CID 107213748
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
3-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-4-fluorobenzoic acid
CID 106168366
methyl 2-hydroxy-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate
CID 103878746
5-amino-2-fluoro-N-(2-hydroxypropyl)benzenesulfonamide
CID 43498706

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate (CID 103878696) is methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate is COC(=O)C(O)CNS(=O)(=O)c1cc(C)ccc1F.
What is the InChIKey of methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate?
The InChIKey is KLHOIYNCUIHTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S/c1-7-3-4-8(12)10(5-7)19(16,17)13-6-9(14)11(15)18-2/h3-5,9,13-14H,6H2,1-2H3.
What are the key properties of methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate?
methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate has a molecular weight of 291.30 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-fluoro-5-methylphenyl)sulfonylamino]-2-hydroxypropanoate is sourced from PubChem (CID 103878696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).