2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid

C11H13FN2O5S — CID 61455348

IUPAC2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)C(C)C(=O)O)c1
InChIInChI=1S/C11H13FN2O5S/c1-6(11(16)17)20(18,19)14-10-5-8(13-7(2)15)3-4-9(10)12/h3-6,14H,1-2H3,(H,13,15)(H,16,17)
InChIKeyVWKKMCRUADSGKA-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.00
Rot. Bonds5

About 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid

2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid (PubChem CID 61455348) has the molecular formula C11H13FN2O5S and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid
PubChem CID61455348
Molecular FormulaC11H13FN2O5S
Molecular Weight304.30 g/mol
Exact Mass304.05
IUPAC Name2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid
SMILESCC(=O)Nc1ccc(F)c(NS(=O)(=O)C(C)C(=O)O)c1
InChIInChI=1S/C11H13FN2O5S/c1-6(11(16)17)20(18,19)14-10-5-8(13-7(2)15)3-4-9(10)12/h3-6,14H,1-2H3,(H,13,15)(H,16,17)
InChIKeyVWKKMCRUADSGKA-UHFFFAOYSA-N
XLogP1.00
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62998747
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2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
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N-[4-fluoro-3-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]acetamide
CID 134040610
N-[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
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2-[(5-acetamido-2-fluorobenzoyl)amino]propanoic acid
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2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
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N-(5-acetamido-2-fluorophenyl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55551658
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N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid?
The IUPAC name of 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid (CID 61455348) is 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid?
The canonical SMILES for 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid is CC(=O)Nc1ccc(F)c(NS(=O)(=O)C(C)C(=O)O)c1.
What is the InChIKey of 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid?
The InChIKey is VWKKMCRUADSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O5S/c1-6(11(16)17)20(18,19)14-10-5-8(13-7(2)15)3-4-9(10)12/h3-6,14H,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid?
2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid has a molecular weight of 304.30 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-acetamido-2-fluorophenyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 61455348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).