3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide

C11H14F2N2O4S — CID 82919006

IUPAC3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H14F2N2O4S/c1-2-15-10(16)3-4-19-11-8(12)5-7(6-9(11)13)20(14,17)18/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyLHDPDOMRHCUEAR-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.52
Rot. Bonds6

About 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide

3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide (PubChem CID 82919006) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
PubChem CID82919006
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide
SMILESCCNC(=O)CCOc1c(F)cc(S(N)(=O)=O)cc1F
InChIInChI=1S/C11H14F2N2O4S/c1-2-15-10(16)3-4-19-11-8(12)5-7(6-9(11)13)20(14,17)18/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyLHDPDOMRHCUEAR-UHFFFAOYSA-N
XLogP0.52
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(ethylamino)-3-oxopropoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921179
N-cyclopropyl-3-(2,6-difluoro-4-sulfamoylphenoxy)propanamide
CID 82916178
3-[2,6-difluoro-4-(propylaminomethyl)phenoxy]-N-ethylpropanamide
CID 79882732
4-[2-(ethylamino)-2-oxoethoxy]-3,5-difluorobenzenesulfonyl chloride
CID 82921031
2-[3-(ethylamino)-3-oxopropoxy]-5-sulfamoylbenzoic acid
CID 82913282
4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide
CID 81267946
3,5-difluoro-4-(2-methylidenebutoxy)benzenesulfonamide
CID 82918928
3,5-dibromo-4-[3-(ethylamino)-3-oxopropoxy]benzoic acid
CID 107738631
3,5-difluoro-4-pent-4-enoxybenzenesulfonamide
CID 82919223
3,5-difluoro-4-(3-methylbut-2-enoxy)benzenesulfonamide
CID 82918852
2-[4-(aminomethyl)-2,6-difluorophenoxy]-N-ethylacetamide
CID 79887348
3-[4-(2-aminopropyl)-2,6-dibromophenoxy]-N-ethylpropanamide
CID 107739892

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide?
The IUPAC name of 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide (CID 82919006) is 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide.
What is the SMILES notation for 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide?
The canonical SMILES for 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide is CCNC(=O)CCOc1c(F)cc(S(N)(=O)=O)cc1F.
What is the InChIKey of 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide?
The InChIKey is LHDPDOMRHCUEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-2-15-10(16)3-4-19-11-8(12)5-7(6-9(11)13)20(14,17)18/h5-6H,2-4H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide?
3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide has a molecular weight of 308.31 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-4-sulfamoylphenoxy)-N-ethylpropanamide is sourced from PubChem (CID 82919006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).