3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide

C9H10F2N2O4S — CID 82919002

IUPAC3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide
SMILESNC(=O)CCOc1c(F)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C9H10F2N2O4S/c10-5-3-6(11)9(17-2-1-8(12)14)7(4-5)18(13,15)16/h3-4H,1-2H2,(H2,12,14)(H2,13,15,16)
InChIKeyGNVAEWDVFNJAOJ-UHFFFAOYSA-N
MW280.25 g/mol
LogP-0.13
Rot. Bonds5

About 3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide

3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide (PubChem CID 82919002) has the molecular formula C9H10F2N2O4S and a molecular weight of 280.25 g/mol. Its IUPAC name is 3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide.

Molecular Properties

Compound Name3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide
PubChem CID82919002
Molecular FormulaC9H10F2N2O4S
Molecular Weight280.25 g/mol
Exact Mass280.03
IUPAC Name3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide
SMILESNC(=O)CCOc1c(F)cc(F)cc1S(N)(=O)=O
InChIInChI=1S/C9H10F2N2O4S/c10-5-3-6(11)9(17-2-1-8(12)14)7(4-5)18(13,15)16/h3-4H,1-2H2,(H2,12,14)(H2,13,15,16)
InChIKeyGNVAEWDVFNJAOJ-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

2-(2,4-difluoro-6-sulfamoylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82915817
2-(3-chloro-2-methylprop-2-enoxy)-3,5-difluorobenzenesulfonamide
CID 106439092
3-[2,6-difluoro-4-(hydroxymethyl)phenoxy]propanamide
CID 79888639
3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide
CID 82915236
3-(2,6-dimethyl-4-sulfamoylphenoxy)propanamide
CID 82913119
3,5-difluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915015
3-[4-(3-amino-3-oxopropoxy)-3,5-difluorophenyl]prop-2-enoic acid
CID 79887511
3-fluoro-2-(3-methylbut-3-enoxy)-5-nitrobenzenesulfonamide
CID 114473027
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]-3,5-difluorobenzenesulfonamide
CID 82916465
2-[2-(carbamoylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921537
3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
CID 82919006
2-(3,5-dimethylcyclohexyl)oxy-3,5-difluorobenzenesulfonamide
CID 64729456

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide?
The IUPAC name of 3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide (CID 82919002) is 3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide.
What is the SMILES notation for 3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide?
The canonical SMILES for 3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide is NC(=O)CCOc1c(F)cc(F)cc1S(N)(=O)=O.
What is the InChIKey of 3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide?
The InChIKey is GNVAEWDVFNJAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O4S/c10-5-3-6(11)9(17-2-1-8(12)14)7(4-5)18(13,15)16/h3-4H,1-2H2,(H2,12,14)(H2,13,15,16).
What are the key properties of 3-(2,4-difluoro-6-sulfamoylphenoxy)propanamide?
3-(2,4-difluoro-6-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-(2,4-difluoro-6-sulfamoylphenoxy)propanamide is sourced from PubChem (CID 82919002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).