3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid

C11H10N2O6S — CID 28774384

IUPAC3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C11H10N2O6S/c14-9(15)3-4-20(18,19)13-6-1-2-7-8(5-6)11(17)12-10(7)16/h1-2,5,13H,3-4H2,(H,14,15)(H,12,16,17)
InChIKeyXYGKCQNFTOGEKO-UHFFFAOYSA-N
MW298.28 g/mol
LogP-0.21
Rot. Bonds5

About 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid

3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid (PubChem CID 28774384) has the molecular formula C11H10N2O6S and a molecular weight of 298.28 g/mol. Its IUPAC name is 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid
PubChem CID28774384
Molecular FormulaC11H10N2O6S
Molecular Weight298.28 g/mol
Exact Mass298.03
IUPAC Name3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C11H10N2O6S/c14-9(15)3-4-20(18,19)13-6-1-2-7-8(5-6)11(17)12-10(7)16/h1-2,5,13H,3-4H2,(H,14,15)(H,12,16,17)
InChIKeyXYGKCQNFTOGEKO-UHFFFAOYSA-N
XLogP-0.21
TPSA129.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.28
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[(3,4-dicyanophenyl)sulfamoyl]propanoic acid
CID 114001558
3-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfamoyl]propanoic acid
CID 43706603
3-[[3-(aminomethyl)phenyl]sulfamoyl]propanoic acid
CID 63254571
4-[(1,3-dioxoisoindol-5-yl)sulfonylamino]butanoic acid
CID 100820374
3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
CID 43714343
2-[(1,3-dioxoisoindol-5-yl)carbamoylamino]-2-methylpropanoic acid
CID 61265736
4-[(4-fluorophenyl)sulfamoyl]butanoic acid
CID 28513841
4-chloro-N-(1,3-dioxoisoindol-5-yl)benzenesulfonamide
CID 973584
3-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 43715511
3-[(2-methyl-1,3-benzoxazol-5-yl)sulfamoyl]propanoic acid
CID 43361826
3-[[3-(dimethylsulfamoyl)phenyl]sulfamoyl]propanoic acid
CID 43361776
3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
CID 43145893

Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid (CID 28774384) is 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid?
The InChIKey is XYGKCQNFTOGEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O6S/c14-9(15)3-4-20(18,19)13-6-1-2-7-8(5-6)11(17)12-10(7)16/h1-2,5,13H,3-4H2,(H,14,15)(H,12,16,17).
What are the key properties of 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid?
3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid has a molecular weight of 298.28 g/mol, XLogP of -0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dioxoisoindol-5-yl)sulfamoyl]propanoic acid is sourced from PubChem (CID 28774384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).