2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid

C10H13NO5S — CID 114331355

IUPAC2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C10H13NO5S/c1-7(10(13)14)17(15,16)11-6-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)
InChIKeyOJCMIAAMDVOQAA-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.28
Rot. Bonds5

About 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid

2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid (PubChem CID 114331355) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid
PubChem CID114331355
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1ccccc1O
InChIInChI=1S/C10H13NO5S/c1-7(10(13)14)17(15,16)11-6-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14)
InChIKeyOJCMIAAMDVOQAA-UHFFFAOYSA-N
XLogP0.28
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(trifluoromethyl)phenyl]methylsulfamoyl]propanoic acid
CID 62881645
2-[[2-(benzylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 61458090
1-cyano-N-[(2-hydroxyphenyl)methyl]propane-1-sulfonamide
CID 113338253
2-[[3-(methoxymethyl)phenyl]methylsulfamoyl]propanoic acid
CID 61458173
2-[2-[(1-cyanoethylsulfonylamino)methyl]phenyl]acetic acid
CID 81318553
2-chloro-N-[(2-hydroxyphenyl)methyl]propanamide
CID 82109945
2-[(3-cyanophenyl)methylsulfamoyl]propanoic acid
CID 54947596
2-(2-methylsulfonylpropyl)phenol
CID 115028803
2-(2-pyridin-2-ylethylsulfamoyl)propanoic acid
CID 54947851
2-(2-hydroxy-3-methylbutyl)phenol
CID 130034512
2-(2-hydroxyphenyl)-N-propan-2-ylacetamide
CID 78990911
2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid
CID 61458135

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid (CID 114331355) is 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)NCc1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid?
The InChIKey is OJCMIAAMDVOQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-7(10(13)14)17(15,16)11-6-8-4-2-3-5-9(8)12/h2-5,7,11-12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid?
2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid has a molecular weight of 259.28 g/mol, XLogP of 0.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 114331355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).