3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid

C10H12FNO4S — CID 28514116

IUPAC3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c11-9-3-1-8(2-4-9)7-12-17(15,16)6-5-10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKeyOATOLBNWYYNDTI-UHFFFAOYSA-N
MW261.27 g/mol
LogP0.72
Rot. Bonds6

About 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid

3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid (PubChem CID 28514116) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid
PubChem CID28514116
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)NCc1ccc(F)cc1
InChIInChI=1S/C10H12FNO4S/c11-9-3-1-8(2-4-9)7-12-17(15,16)6-5-10(13)14/h1-4,12H,5-7H2,(H,13,14)
InChIKeyOATOLBNWYYNDTI-UHFFFAOYSA-N
XLogP0.72
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid?
The IUPAC name of 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid (CID 28514116) is 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)NCc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid?
The InChIKey is OATOLBNWYYNDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c11-9-3-1-8(2-4-9)7-12-17(15,16)6-5-10(13)14/h1-4,12H,5-7H2,(H,13,14).
What are the key properties of 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid?
3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid has a molecular weight of 261.27 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methylsulfamoyl]propanoic acid is sourced from PubChem (CID 28514116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).