2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid

C11H15NO6S — CID 107835264

IUPAC2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
SMILESCOc1cccc(S(=O)(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C11H15NO6S/c1-18-8-3-2-4-9(7-8)19(16,17)12-6-5-10(13)11(14)15/h2-4,7,10,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyIKNWMRBAIJULFA-UHFFFAOYSA-N
MW289.31 g/mol
LogP-0.19
Rot. Bonds7

About 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid

2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid (PubChem CID 107835264) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
PubChem CID107835264
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
SMILESCOc1cccc(S(=O)(=O)NCCC(O)C(=O)O)c1
InChIInChI=1S/C11H15NO6S/c1-18-8-3-2-4-9(7-8)19(16,17)12-6-5-10(13)11(14)15/h2-4,7,10,12-13H,5-6H2,1H3,(H,14,15)
InChIKeyIKNWMRBAIJULFA-UHFFFAOYSA-N
XLogP-0.19
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-hydroxy-4-[(3-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933997
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
N-(3-hydroxy-3-thiophen-2-ylpropyl)-3-methoxybenzenesulfonamide
CID 90524149
6-[(3-methoxyphenyl)sulfonylamino]hexanoic acid
CID 68502210
(2R)-3-hydroxy-2-[(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 69117008
3-methoxy-N-[3-(propan-2-ylamino)propyl]benzenesulfonamide
CID 81259985
3-methoxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid
CID 103153533
N-but-3-ynyl-3-methoxybenzenesulfonamide
CID 90537996
ethyl 4-[(3-methoxyphenyl)sulfonylamino]butanoate
CID 81259857
N-(3-methoxyphenyl)-3-(3-methylbutylsulfamoyl)benzamide
CID 109065294
2-hydroxy-4-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 107835273
N-(2-ethyl-4-hydroxybutyl)-3-methoxybenzenesulfonamide
CID 81259105

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid (CID 107835264) is 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid is COc1cccc(S(=O)(=O)NCCC(O)C(=O)O)c1.
What is the InChIKey of 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid?
The InChIKey is IKNWMRBAIJULFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-18-8-3-2-4-9(7-8)19(16,17)12-6-5-10(13)11(14)15/h2-4,7,10,12-13H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid?
2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid has a molecular weight of 289.31 g/mol, XLogP of -0.19, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(3-methoxyphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 107835264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).