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

C11H14F2N2O4S — CID 82914648

IUPAC4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(S(N)(=O)=O)c(F)c1F
InChIInChI=1S/C11H14F2N2O4S/c1-15-9(16)3-2-6-19-7-4-5-8(20(14,17)18)11(13)10(7)12/h4-5H,2-3,6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyTYCNHEGFQWZEMT-UHFFFAOYSA-N
MW308.31 g/mol
LogP0.52
Rot. Bonds6

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

4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide (PubChem CID 82914648) has the molecular formula C11H14F2N2O4S and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide
PubChem CID82914648
Molecular FormulaC11H14F2N2O4S
Molecular Weight308.31 g/mol
Exact Mass308.06
IUPAC Name4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(S(N)(=O)=O)c(F)c1F
InChIInChI=1S/C11H14F2N2O4S/c1-15-9(16)3-2-6-19-7-4-5-8(20(14,17)18)11(13)10(7)12/h4-5H,2-3,6H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyTYCNHEGFQWZEMT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
CID 82915136
3-(2,3-difluoro-4-sulfamoylphenoxy)propanamide
CID 82915236
2-(2,3-difluoro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82914724
2-(2,3-difluoro-4-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82917581
4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
CID 107700545
4-(2,3-dimethyl-4-sulfamoylphenoxy)butanoic acid
CID 43342347
4-[2-(aminomethyl)-3-fluorophenoxy]-N-methylbutanamide
CID 63892441
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82911048
3-chloro-4-[4-(methylamino)-4-oxobutoxy]benzenesulfonyl chloride
CID 82916549
5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
CID 82910105
4-[2-amino-4-(trifluoromethyl)phenoxy]-N-methylbutanamide
CID 82007494
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide?
The IUPAC name of 4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide (CID 82914648) is 4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide is CNC(=O)CCCOc1ccc(S(N)(=O)=O)c(F)c1F.
What is the InChIKey of 4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide?
The InChIKey is TYCNHEGFQWZEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S/c1-15-9(16)3-2-6-19-7-4-5-8(20(14,17)18)11(13)10(7)12/h4-5H,2-3,6H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide?
4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide 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 4-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide is sourced from PubChem (CID 82914648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).