2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid

C11H13F2NO4S — CID 61455371

IUPAC2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO4S/c1-6(10-8(12)4-3-5-9(10)13)14-19(17,18)7(2)11(15)16/h3-7,14H,1-2H3,(H,15,16)
InChIKeyZOYVMVMYKQKIMU-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.42
Rot. Bonds5

About 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid

2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid (PubChem CID 61455371) has the molecular formula C11H13F2NO4S and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid
PubChem CID61455371
Molecular FormulaC11H13F2NO4S
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)c1c(F)cccc1F
InChIInChI=1S/C11H13F2NO4S/c1-6(10-8(12)4-3-5-9(10)13)14-19(17,18)7(2)11(15)16/h3-7,14H,1-2H3,(H,15,16)
InChIKeyZOYVMVMYKQKIMU-UHFFFAOYSA-N
XLogP1.42
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid (CID 61455371) is 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid is CC(NS(=O)(=O)C(C)C(=O)O)c1c(F)cccc1F.
What is the InChIKey of 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid?
The InChIKey is ZOYVMVMYKQKIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO4S/c1-6(10-8(12)4-3-5-9(10)13)14-19(17,18)7(2)11(15)16/h3-7,14H,1-2H3,(H,15,16).
What are the key properties of 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid?
2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid has a molecular weight of 293.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 61455371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).