4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid

C11H14FNO4S — CID 28513541

IUPAC4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C11H14FNO4S/c12-10-5-2-1-4-9(10)8-13-18(16,17)7-3-6-11(14)15/h1-2,4-5,13H,3,6-8H2,(H,14,15)
InChIKeyKDQPBEVTABWXPJ-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.11
Rot. Bonds7

About 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid

4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid (PubChem CID 28513541) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid
PubChem CID28513541
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCc1ccccc1F
InChIInChI=1S/C11H14FNO4S/c12-10-5-2-1-4-9(10)8-13-18(16,17)7-3-6-11(14)15/h1-2,4-5,13H,3,6-8H2,(H,14,15)
InChIKeyKDQPBEVTABWXPJ-UHFFFAOYSA-N
XLogP1.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid?
The IUPAC name of 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid (CID 28513541) is 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NCc1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid?
The InChIKey is KDQPBEVTABWXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c12-10-5-2-1-4-9(10)8-13-18(16,17)7-3-6-11(14)15/h1-2,4-5,13H,3,6-8H2,(H,14,15).
What are the key properties of 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid?
4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylsulfamoyl]butanoic acid is sourced from PubChem (CID 28513541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).