3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid

C11H15NO5S — CID 82326480

IUPAC3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO5S/c13-9-8-12(7-6-11(14)15)18(16,17)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChIKeyMAGWJUXBEDFFSR-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.14
Rot. Bonds7

About 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid

3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid (PubChem CID 82326480) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid
PubChem CID82326480
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid
SMILESO=C(O)CCN(CCO)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H15NO5S/c13-9-8-12(7-6-11(14)15)18(16,17)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)
InChIKeyMAGWJUXBEDFFSR-UHFFFAOYSA-N
XLogP0.14
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[benzenesulfonyl-[2-[benzenesulfonyl(2-carboxyethyl)amino]ethyl]amino]propanoic acid
CID 21496766
N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 668951
3-[2-[2-carboxyethyl(naphthalen-2-ylsulfonyl)amino]ethyl-naphthalen-2-ylsulfonylamino]propanoic acid
CID 151966350
N,N-dipropylbenzenesulfonamide
CID 4053954
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
3-[benzyl-(4-bromophenyl)sulfonylamino]propanoic acid
CID 45472537
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428
3-[(3-bromophenyl)sulfonyl-ethylamino]propanoic acid
CID 61009872
N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide
CID 142404844
6-[2-carboxyethyl-(4-methylphenyl)sulfonylamino]hexanoic acid
CID 86217743
N-(2-hydroxyethyl)benzenesulfonohydrazide
CID 15634697
3-[ethyl-(3-methoxyphenyl)sulfonylamino]propanoic acid
CID 81259042

Frequently Asked Questions

What is the IUPAC name of 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid?
The IUPAC name of 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid (CID 82326480) is 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid.
What is the SMILES notation for 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid?
The canonical SMILES for 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid is O=C(O)CCN(CCO)S(=O)(=O)c1ccccc1.
What is the InChIKey of 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid?
The InChIKey is MAGWJUXBEDFFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c13-9-8-12(7-6-11(14)15)18(16,17)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15).
What are the key properties of 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid?
3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzenesulfonyl(2-hydroxyethyl)amino]propanoic acid is sourced from PubChem (CID 82326480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).