2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid

C10H12FNO4S — CID 54947272

IUPAC2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C10H12FNO4S/c1-7(10(13)14)17(15,16)12-6-8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyPMJNOOUHBPRXJD-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.72
Rot. Bonds5

About 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid

2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid (PubChem CID 54947272) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid
PubChem CID54947272
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1cccc(F)c1
InChIInChI=1S/C10H12FNO4S/c1-7(10(13)14)17(15,16)12-6-8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyPMJNOOUHBPRXJD-UHFFFAOYSA-N
XLogP0.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid (CID 54947272) is 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)NCc1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid?
The InChIKey is PMJNOOUHBPRXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-7(10(13)14)17(15,16)12-6-8-3-2-4-9(11)5-8/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid?
2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid has a molecular weight of 261.27 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 54947272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).