2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid

C10H11F2NO5S — CID 61454482

IUPAC2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C10H11F2NO5S/c1-6(9(14)15)19(16,17)13-7-4-2-3-5-8(7)18-10(11)12/h2-6,10,13H,1H3,(H,14,15)
InChIKeySFUYNRZOCSKSHG-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.50
Rot. Bonds6

About 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid

2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid (PubChem CID 61454482) has the molecular formula C10H11F2NO5S and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
PubChem CID61454482
Molecular FormulaC10H11F2NO5S
Molecular Weight295.26 g/mol
Exact Mass295.03
IUPAC Name2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)Nc1ccccc1OC(F)F
InChIInChI=1S/C10H11F2NO5S/c1-6(9(14)15)19(16,17)13-7-4-2-3-5-8(7)18-10(11)12/h2-6,10,13H,1H3,(H,14,15)
InChIKeySFUYNRZOCSKSHG-UHFFFAOYSA-N
XLogP1.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(difluoromethoxy)phenyl]ethylsulfamoyl]propanoic acid
CID 61455167
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
N-[2-(difluoromethoxy)phenyl]-1-(propylamino)propane-2-sulfonamide
CID 106030472
2-chloro-N-[[2-(difluoromethoxy)phenyl]carbamoyl]propanamide
CID 43329114
(2S)-2-amino-N-[2-(difluoromethoxy)phenyl]propanamide
CID 61147422
N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
4-[[2-(difluoromethoxy)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 99773706
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633
2-(benzenesulfonyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 112779682
3-chloro-N-[2-(difluoromethoxy)phenyl]propane-1-sulfonamide
CID 43654163
2-amino-N-[2-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 43146665
2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid
CID 63745528

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid (CID 61454482) is 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid is CC(C(=O)O)S(=O)(=O)Nc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid?
The InChIKey is SFUYNRZOCSKSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO5S/c1-6(9(14)15)19(16,17)13-7-4-2-3-5-8(7)18-10(11)12/h2-6,10,13H,1H3,(H,14,15).
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid?
2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid has a molecular weight of 295.26 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 61454482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).