2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid

C11H15NO5S — CID 54947912

IUPAC2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H15NO5S/c1-7(9-4-3-5-10(13)6-9)12-18(16,17)8(2)11(14)15/h3-8,12-13H,1-2H3,(H,14,15)
InChIKeyWDIHZGLYSGOVJI-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.85
Rot. Bonds5

About 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid

2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid (PubChem CID 54947912) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid
PubChem CID54947912
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H15NO5S/c1-7(9-4-3-5-10(13)6-9)12-18(16,17)8(2)11(14)15/h3-8,12-13H,1-2H3,(H,14,15)
InChIKeyWDIHZGLYSGOVJI-UHFFFAOYSA-N
XLogP0.85
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
CID 54964068
2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid
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2-[1-[4-(2-methylpropyl)phenyl]ethylsulfamoyl]propanoic acid
CID 61454832
[(1S)-1-(3-hydroxyphenyl)ethyl]urea
CID 130686101
3-[1-(hydroxyamino)ethyl]phenol
CID 82684421
3-(1-hydroxyethyl)phenol;methanesulfonic acid
CID 174877430
(2S)-2-amino-N-[1-(3-hydroxyphenyl)ethyl]-3-methylbutanamide
CID 61153949
3-fluoro-2-(3-hydroxyphenyl)butanoic acid
CID 105451302
2-[1-(1-benzofuran-2-yl)ethylsulfamoyl]propanoic acid
CID 61454837
2-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-4-sulfonamide
CID 61051398
(3S)-3-(3-hydroxyphenyl)-2,4-dimethylpentanoic acid
CID 67429644
3-[1-(2,6-dibromoanilino)ethyl]phenol
CID 107597330

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid (CID 54947912) is 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid is CC(NS(=O)(=O)C(C)C(=O)O)c1cccc(O)c1.
What is the InChIKey of 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid?
The InChIKey is WDIHZGLYSGOVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-7(9-4-3-5-10(13)6-9)12-18(16,17)8(2)11(14)15/h3-8,12-13H,1-2H3,(H,14,15).
What are the key properties of 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid?
2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 54947912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).