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

C12H16FNO4S — CID 28513594

IUPAC4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C12H16FNO4S/c13-11-5-2-1-4-10(11)7-8-14-19(17,18)9-3-6-12(15)16/h1-2,4-5,14H,3,6-9H2,(H,15,16)
InChIKeyQQPXHWXMEOVABZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.15
Rot. Bonds8

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

4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid (PubChem CID 28513594) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid.

Molecular Properties

Compound Name4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
PubChem CID28513594
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCCc1ccccc1F
InChIInChI=1S/C12H16FNO4S/c13-11-5-2-1-4-10(11)7-8-14-19(17,18)9-3-6-12(15)16/h1-2,4-5,14H,3,6-9H2,(H,15,16)
InChIKeyQQPXHWXMEOVABZ-UHFFFAOYSA-N
XLogP1.15
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
2-chloro-N-[2-(2-fluorophenyl)ethyl]ethanesulfonamide
CID 107650619
3-(2-fluorophenyl)propanoic acid
CID 2063866
N-[2-(2-fluorophenyl)ethyl]-2-(2-methoxyethoxy)ethanesulfonamide
CID 110411117
5-[2-(2-fluorophenyl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 28931622
4-(2-phenoxyethylsulfamoyl)butanoic acid
CID 55012765
3-[2-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 28514163
4-[2-(3-phenylpropoxy)ethylsulfamoyl]butanoic acid
CID 174418153
4-[(5-bromo-2-fluorophenyl)methylsulfamoyl]butanoic acid
CID 61299271
4-[2-(5-chlorothiophen-2-yl)ethylsulfamoyl]butanoic acid
CID 106033208
3-[2-(2-fluorophenyl)ethylamino]propane-1-sulfonic acid
CID 58691927
2-(2-fluorophenyl)-N-(3-phenylbutyl)ethanesulfonamide
CID 110356377

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid?
The IUPAC name of 4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid (CID 28513594) is 4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid.
What is the SMILES notation for 4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid?
The canonical SMILES for 4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid is O=C(O)CCCS(=O)(=O)NCCc1ccccc1F.
What is the InChIKey of 4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid?
The InChIKey is QQPXHWXMEOVABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S/c13-11-5-2-1-4-10(11)7-8-14-19(17,18)9-3-6-12(15)16/h1-2,4-5,14H,3,6-9H2,(H,15,16).
What are the key properties of 4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid?
4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-fluorophenyl)ethylsulfamoyl]butanoic acid is sourced from PubChem (CID 28513594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).