5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide

C11H14FNO3S — CID 114473030

IUPAC5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
SMILESC=C(C)CCOc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C11H14FNO3S/c1-8(2)5-6-16-10-4-3-9(12)7-11(10)17(13,14)15/h3-4,7H,1,5-6H2,2H3,(H2,13,14,15)
InChIKeyAFYKWYOFAKXARY-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.82
Rot. Bonds5

About 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide

5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide (PubChem CID 114473030) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
PubChem CID114473030
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide
SMILESC=C(C)CCOc1ccc(F)cc1S(N)(=O)=O
InChIInChI=1S/C11H14FNO3S/c1-8(2)5-6-16-10-4-3-9(12)7-11(10)17(13,14)15/h3-4,7H,1,5-6H2,2H3,(H2,13,14,15)
InChIKeyAFYKWYOFAKXARY-UHFFFAOYSA-N
XLogP1.82
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
CID 62105180
5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113508
4-(4-fluoro-2-sulfamoylphenoxy)-N-methylbutanamide
CID 82915136
2-bromo-4-fluoro-1-(3-methylbut-3-enoxy)benzene
CID 114472657
2-(3-cyano-3-methylbutoxy)-5-fluorobenzenesulfonamide
CID 82915040
4-(3-methylbut-3-enoxy)naphthalene-1-sulfonamide
CID 114473017
2-(4-fluoro-2-sulfamoylphenoxy)acetic acid
CID 62103698
3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473013
5-(3-methylbut-3-enoxy)quinoline-8-sulfonamide
CID 103045343
potassium trifluoro-[5-fluoro-2-(3-methylbut-3-enoxy)phenyl]boranuide
CID 114472982
5-fluoro-2-[(2-methoxyphenyl)methoxy]benzenesulfonamide
CID 62104803
2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide (CID 114473030) is 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide is C=C(C)CCOc1ccc(F)cc1S(N)(=O)=O.
What is the InChIKey of 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide?
The InChIKey is AFYKWYOFAKXARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-8(2)5-6-16-10-4-3-9(12)7-11(10)17(13,14)15/h3-4,7H,1,5-6H2,2H3,(H2,13,14,15).
What are the key properties of 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide?
5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide has a molecular weight of 259.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(3-methylbut-3-enoxy)benzenesulfonamide is sourced from PubChem (CID 114473030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).