2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid

C11H15NO6S — CID 61454372

IUPAC2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1cc(NS(=O)(=O)C(C)C(=O)O)cc(OC)c1
InChIInChI=1S/C11H15NO6S/c1-7(11(13)14)19(15,16)12-8-4-9(17-2)6-10(5-8)18-3/h4-7,12H,1-3H3,(H,13,14)
InChIKeyVEGGWGISNAEHDR-UHFFFAOYSA-N
MW289.31 g/mol
LogP0.92
Rot. Bonds6

About 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid

2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid (PubChem CID 61454372) has the molecular formula C11H15NO6S and a molecular weight of 289.31 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid
PubChem CID61454372
Molecular FormulaC11H15NO6S
Molecular Weight289.31 g/mol
Exact Mass289.06
IUPAC Name2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid
SMILESCOc1cc(NS(=O)(=O)C(C)C(=O)O)cc(OC)c1
InChIInChI=1S/C11H15NO6S/c1-7(11(13)14)19(15,16)12-8-4-9(17-2)6-10(5-8)18-3/h4-7,12H,1-3H3,(H,13,14)
InChIKeyVEGGWGISNAEHDR-UHFFFAOYSA-N
XLogP0.92
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,5-dimethoxyanilino)propanoic acid
CID 54357232
2-[[4-(methoxymethyl)phenyl]sulfamoyl]propanoic acid
CID 114253050
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
2-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]propanoic acid
CID 81370607
2-[(5-bromo-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 54968220
N-(3,5-dimethoxyphenyl)-2-[(3,5-dimethoxyphenyl)sulfamoyl]acetamide
CID 3759124
2-[[3-(3-cyanopropoxy)phenyl]sulfamoyl]propanoic acid
CID 61455010
2-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 61455322
2-[(3-methylsulfanylphenyl)sulfamoyl]propanoic acid
CID 54947268
2-[(5-carbamoyl-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 61455369
2-[(4-cyano-2-methoxyphenyl)sulfamoyl]propanoic acid
CID 104847953
2-[(4-carbamoyl-3-chlorophenyl)sulfamoyl]propanoic acid
CID 61454806

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid (CID 61454372) is 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid is COc1cc(NS(=O)(=O)C(C)C(=O)O)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid?
The InChIKey is VEGGWGISNAEHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6S/c1-7(11(13)14)19(15,16)12-8-4-9(17-2)6-10(5-8)18-3/h4-7,12H,1-3H3,(H,13,14).
What are the key properties of 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid?
2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid has a molecular weight of 289.31 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61454372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).