2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide

C12H16F2N2O4S — CID 82917581

IUPAC2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(S(N)(=O)=O)c(F)c1F
InChIInChI=1S/C12H16F2N2O4S/c1-3-16(4-2)10(17)7-20-8-5-6-9(21(15,18)19)12(14)11(8)13/h5-6H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeyZZUAWDKXWVYCTB-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.86
Rot. Bonds6

About 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide

2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide (PubChem CID 82917581) has the molecular formula C12H16F2N2O4S and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide
PubChem CID82917581
Molecular FormulaC12H16F2N2O4S
Molecular Weight322.33 g/mol
Exact Mass322.08
IUPAC Name2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COc1ccc(S(N)(=O)=O)c(F)c1F
InChIInChI=1S/C12H16F2N2O4S/c1-3-16(4-2)10(17)7-20-8-5-6-9(21(15,18)19)12(14)11(8)13/h5-6H,3-4,7H2,1-2H3,(H2,15,18,19)
InChIKeyZZUAWDKXWVYCTB-UHFFFAOYSA-N
XLogP0.86
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-difluoro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82914724
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82915390
3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide
CID 82915236
4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide
CID 82914648
N,N-diethyl-2-(2-fluorophenoxy)acetamide
CID 2178411
2-(4-carbamothioyl-2-fluorophenoxy)-N,N-diethylacetamide
CID 107665931
2-[2-(2-aminoethyl)-4-fluorophenoxy]-N,N-diethylacetamide
CID 107700208
2-(2-ethoxyphenoxy)-N,N-diethylacetamide
CID 60625239
N,N-diethyl-2-(5-fluoro-2-methylphenoxy)acetamide
CID 102975425
2,3-difluoro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82870156
2,3-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915010
2-[2-chloro-4-[(2,4-difluorophenyl)sulfonylamino]phenoxy]-N,N-diethylacetamide
CID 38942586

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide?
The IUPAC name of 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide (CID 82917581) is 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide?
The canonical SMILES for 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide is CCN(CC)C(=O)COc1ccc(S(N)(=O)=O)c(F)c1F.
What is the InChIKey of 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide?
The InChIKey is ZZUAWDKXWVYCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O4S/c1-3-16(4-2)10(17)7-20-8-5-6-9(21(15,18)19)12(14)11(8)13/h5-6H,3-4,7H2,1-2H3,(H2,15,18,19).
What are the key properties of 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide?
2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide has a molecular weight of 322.33 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide is sourced from PubChem (CID 82917581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).