2-[(2-aminophenyl)sulfamoyl]propanoic acid

C9H12N2O4S — CID 61457996

IUPAC2-[(2-aminophenyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C9H12N2O4S/c1-6(9(12)13)16(14,15)11-8-5-3-2-4-7(8)10/h2-6,11H,10H2,1H3,(H,12,13)
InChIKeyIIXDDKZAMNSXOO-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.48
Rot. Bonds4

About 2-[(2-aminophenyl)sulfamoyl]propanoic acid

2-[(2-aminophenyl)sulfamoyl]propanoic acid (PubChem CID 61457996) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-[(2-aminophenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(2-aminophenyl)sulfamoyl]propanoic acid
PubChem CID61457996
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name2-[(2-aminophenyl)sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccccc1N
InChIInChI=1S/C9H12N2O4S/c1-6(9(12)13)16(14,15)11-8-5-3-2-4-7(8)10/h2-6,11H,10H2,1H3,(H,12,13)
InChIKeyIIXDDKZAMNSXOO-UHFFFAOYSA-N
XLogP0.48
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
CID 61454482
3-(1-carboxyethylsulfonylamino)-2-methylbenzoic acid
CID 61454859
2-(2-aminoanilino)propanoic acid
CID 67237083
2-[(2-cyclopentylsulfanylphenyl)sulfamoyl]propanoic acid
CID 61454901
2-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]sulfamoyl]propanoic acid
CID 61455232
2-[[2-methyl-3-(propanoylamino)phenyl]sulfamoyl]propanoic acid
CID 61455045
propan-2-yl N-[(2-aminophenyl)sulfamoyl]carbamate
CID 114461496
2-[(4-carbamoyl-2-methylphenyl)sulfamoyl]propanoic acid
CID 61454869
N-(2-aminophenyl)-1,1,1-trifluoromethanesulfonamide
CID 43605598
2-[(3-methylsulfanylphenyl)sulfamoyl]propanoic acid
CID 54947268
2-(pyridin-4-ylsulfamoyl)propanoic acid
CID 61454432
methyl 2-[(2-aminophenyl)sulfamoyl]acetate
CID 14002853

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(2-aminophenyl)sulfamoyl]propanoic acid (CID 61457996) is 2-[(2-aminophenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(2-aminophenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(2-aminophenyl)sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)sulfamoyl]propanoic acid?
The InChIKey is IIXDDKZAMNSXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-6(9(12)13)16(14,15)11-8-5-3-2-4-7(8)10/h2-6,11H,10H2,1H3,(H,12,13).
What are the key properties of 2-[(2-aminophenyl)sulfamoyl]propanoic acid?
2-[(2-aminophenyl)sulfamoyl]propanoic acid has a molecular weight of 244.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61457996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).