2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid

C11H14FNO4S — CID 54964068

IUPAC2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO4S/c1-7(9-4-3-5-10(12)6-9)13-18(16,17)8(2)11(14)15/h3-8,13H,1-2H3,(H,14,15)
InChIKeyQVLGIZWRNIZJLV-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.28
Rot. Bonds5

About 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid

2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid (PubChem CID 54964068) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
PubChem CID54964068
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)c1cccc(F)c1
InChIInChI=1S/C11H14FNO4S/c1-7(9-4-3-5-10(12)6-9)13-18(16,17)8(2)11(14)15/h3-8,13H,1-2H3,(H,14,15)
InChIKeyQVLGIZWRNIZJLV-UHFFFAOYSA-N
XLogP1.28
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-hydroxyphenyl)ethylsulfamoyl]propanoic acid
CID 54947912
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid
CID 61455371
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
5-[[(1R)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368003
5-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81368965
(2R)-2-[1-(3-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 78972642
N-[(1R)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366934
2-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]propanamide
CID 81365342
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid (CID 54964068) is 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid is CC(NS(=O)(=O)C(C)C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid?
The InChIKey is QVLGIZWRNIZJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c1-7(9-4-3-5-10(12)6-9)13-18(16,17)8(2)11(14)15/h3-8,13H,1-2H3,(H,14,15).
What are the key properties of 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid?
2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid has a molecular weight of 275.30 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 54964068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).