2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid

C12H15F2NO5S — CID 61455167

IUPAC2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)c1ccccc1OC(F)F
InChIInChI=1S/C12H15F2NO5S/c1-7(15-21(18,19)8(2)11(16)17)9-5-3-4-6-10(9)20-12(13)14/h3-8,12,15H,1-2H3,(H,16,17)
InChIKeyZGHHUEMVZRACIU-UHFFFAOYSA-N
MW323.32 g/mol
LogP1.74
Rot. Bonds7

About 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid

2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid (PubChem CID 61455167) has the molecular formula C12H15F2NO5S and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid
PubChem CID61455167
Molecular FormulaC12H15F2NO5S
Molecular Weight323.32 g/mol
Exact Mass323.06
IUPAC Name2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid
SMILESCC(NS(=O)(=O)C(C)C(=O)O)c1ccccc1OC(F)F
InChIInChI=1S/C12H15F2NO5S/c1-7(15-21(18,19)8(2)11(16)17)9-5-3-4-6-10(9)20-12(13)14/h3-8,12,15H,1-2H3,(H,16,17)
InChIKeyZGHHUEMVZRACIU-UHFFFAOYSA-N
XLogP1.74
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
CID 61454482
4-bromo-N-[(1R)-1-[2-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 35403599
2-[1-[2-(difluoromethoxy)phenyl]ethylamino]butanoic acid
CID 115352797
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1H-pyrazole-4-sulfonamide
CID 61276318
2-[1-(2,6-difluorophenyl)ethylsulfamoyl]propanoic acid
CID 61455371
1-[2-(difluoromethoxy)phenyl]-N-(2-phenylethyl)ethanamine
CID 43194104
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
2-[2-[1-[2-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569362
4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674056
1-[1-[2-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499370

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid?
The IUPAC name of 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid (CID 61455167) is 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid.
What is the SMILES notation for 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid?
The canonical SMILES for 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid is CC(NS(=O)(=O)C(C)C(=O)O)c1ccccc1OC(F)F.
What is the InChIKey of 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid?
The InChIKey is ZGHHUEMVZRACIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO5S/c1-7(15-21(18,19)8(2)11(16)17)9-5-3-4-6-10(9)20-12(13)14/h3-8,12,15H,1-2H3,(H,16,17).
What are the key properties of 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid?
2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid has a molecular weight of 323.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid is sourced from PubChem (CID 61455167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).