4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide

C11H15FN2O4S — CID 82915136

IUPAC4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C11H15FN2O4S/c1-14-11(15)3-2-6-18-9-5-4-8(12)7-10(9)19(13,16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyACYYVCGDWNKJLI-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.38
Rot. Bonds6

About 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide

4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide (PubChem CID 82915136) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
PubChem CID82915136
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
SMILESCNC(=O)CCCOc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C11H15FN2O4S/c1-14-11(15)3-2-6-18-9-5-4-8(12)7-10(9)19(13,16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyACYYVCGDWNKJLI-UHFFFAOYSA-N
XLogP0.38
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.38
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-(2,3-difluoro-4-sulfamoylphenoxy)-N-methylbutanamide
CID 82914648
5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
CID 82910105
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473030
5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113508
4-[2-(2-aminoethyl)-4-fluorophenoxy]-N-methylbutanamide
CID 107700545
2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
CID 62105180
4-(2-acetyl-5-fluorophenoxy)-N-methylbutanamide
CID 63891646
3-(4-fluoro-2-formylphenoxy)-N-methylpropanamide
CID 107697303
2-(4-fluoro-2-sulfamoylphenoxy)acetic acid
CID 62103698
2-(4-fluoro-2-sulfamoylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 82917421
2-(3-cyano-3-methylbutoxy)-5-fluorobenzenesulfonamide
CID 82915040
N-cyclopentyl-2-(4-fluoro-2-sulfamoylphenoxy)acetamide
CID 82916135

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide?
The IUPAC name of 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide (CID 82915136) is 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide.
What is the SMILES notation for 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide?
The canonical SMILES for 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide is CNC(=O)CCCOc1ccc(F)cc1S(N)(=O)=O.
What is the InChIKey of 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide?
The InChIKey is ACYYVCGDWNKJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-14-11(15)3-2-6-18-9-5-4-8(12)7-10(9)19(13,16)17/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide?
4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide has a molecular weight of 290.32 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide is sourced from PubChem (CID 82915136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).