3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide

C9H10F2N2O4S — CID 82915236

IUPAC3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide
SMILESNC(=O)CCOc1ccc(S(N)(=O)=O)c(F)c1F
InChIInChI=1S/C9H10F2N2O4S/c10-8-5(17-4-3-7(12)14)1-2-6(9(8)11)18(13,15)16/h1-2H,3-4H2,(H2,12,14)(H2,13,15,16)
InChIKeyKULWCPTUGAQZQV-UHFFFAOYSA-N
MW280.25 g/mol
LogP-0.13
Rot. Bonds5

About 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide

3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide (PubChem CID 82915236) has the molecular formula C9H10F2N2O4S and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide.

Molecular Properties

Compound Name3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide
PubChem CID82915236
Molecular FormulaC9H10F2N2O4S
Molecular Weight280.25 g/mol
Exact Mass280.03
IUPAC Name3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide
SMILESNC(=O)CCOc1ccc(S(N)(=O)=O)c(F)c1F
InChIInChI=1S/C9H10F2N2O4S/c10-8-5(17-4-3-7(12)14)1-2-6(9(8)11)18(13,15)16/h1-2H,3-4H2,(H2,12,14)(H2,13,15,16)
InChIKeyKULWCPTUGAQZQV-UHFFFAOYSA-N
XLogP-0.13
TPSA112.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide
CID 82914648
2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82917581
2-(2,3-difluoro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82914724
3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide
CID 82919002
2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915010
2,3-difluoro-4-[(1-methyltriazol-4-yl)methoxy]benzenesulfonamide
CID 107044380
4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide
CID 63036597
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473030
2,3-difluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870156
4-[2-(carbamoylamino)-2-oxoethoxy]-2,3-difluorobenzenesulfonyl chloride
CID 82920937
3-(2-aminophenoxy)propanamide
CID 39869131
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide?
The IUPAC name of 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide (CID 82915236) is 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide.
What is the SMILES notation for 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide?
The canonical SMILES for 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide is NC(=O)CCOc1ccc(S(N)(=O)=O)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide?
The InChIKey is KULWCPTUGAQZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O4S/c10-8-5(17-4-3-7(12)14)1-2-6(9(8)11)18(13,15)16/h1-2H,3-4H2,(H2,12,14)(H2,13,15,16).
What are the key properties of 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide?
3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide has a molecular weight of 280.25 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide is sourced from PubChem (CID 82915236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).