3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid

C10H11F2NO5S — CID 43145893

IUPAC3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H11F2NO5S/c11-10(12)18-8-3-1-7(2-4-8)13-19(16,17)6-5-9(14)15/h1-4,10,13H,5-6H2,(H,14,15)
InChIKeyWNYSJLYZLDWQLX-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.50
Rot. Bonds7

About 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid

3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid (PubChem CID 43145893) has the molecular formula C10H11F2NO5S and a molecular weight of 295.26 g/mol. Its IUPAC name is 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
PubChem CID43145893
Molecular FormulaC10H11F2NO5S
Molecular Weight295.26 g/mol
Exact Mass295.03
IUPAC Name3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid
SMILESO=C(O)CCS(=O)(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H11F2NO5S/c11-10(12)18-8-3-1-7(2-4-8)13-19(16,17)6-5-9(14)15/h1-4,10,13H,5-6H2,(H,14,15)
InChIKeyWNYSJLYZLDWQLX-UHFFFAOYSA-N
XLogP1.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

3-[[4-(2-amino-2-oxoethyl)phenyl]sulfamoyl]propanoic acid
CID 43714343
N-[4-(difluoromethoxy)phenyl]-3-methylsulfonylpropanamide
CID 134034634
4-amino-4-[4-(difluoromethoxy)phenyl]butanoic acid
CID 117364214
3-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 43715511
methyl 4-[[3-(difluoromethoxy)phenyl]sulfamoyl]butanoate
CID 61460208
1,3-bis[4-(difluoromethoxy)phenyl]urea
CID 11537485
4-[[4-(difluoromethoxy)phenyl]sulfamoyl]benzamide
CID 46644155
2-[4-(difluoromethoxy)anilino]-2-methylpropanoic acid
CID 114992858
3-[[4-(pyrrolidin-1-ylmethyl)phenyl]sulfamoyl]propanoic acid
CID 43705969
4-[[4-(difluoromethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 54867549
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 8502565

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid?
The IUPAC name of 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid (CID 43145893) is 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid?
The canonical SMILES for 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid is O=C(O)CCS(=O)(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid?
The InChIKey is WNYSJLYZLDWQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO5S/c11-10(12)18-8-3-1-7(2-4-8)13-19(16,17)6-5-9(14)15/h1-4,10,13H,5-6H2,(H,14,15).
What are the key properties of 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid?
3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid has a molecular weight of 295.26 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(difluoromethoxy)phenyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 43145893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).