4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide

C11H16FNO3S — CID 110418282

IUPAC4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO3S/c1-9(2)16-8-7-13-17(14,15)11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyGUOHSZFGDOUDNY-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.53
Rot. Bonds6

About 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide

4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (PubChem CID 110418282) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
PubChem CID110418282
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
SMILESCC(C)OCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO3S/c1-9(2)16-8-7-13-17(14,15)11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3
InChIKeyGUOHSZFGDOUDNY-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104759938
3-[(4-fluorophenyl)sulfonylamino]-N-(3-propan-2-yloxypropyl)propanamide
CID 17192279
4-(2-propan-2-yloxyethylsulfamoyl)benzoic acid
CID 113449953
4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 113431383
3-amino-5-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758401
4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzenesulfonamide
CID 62640402
4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
2-amino-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758427
3-cyano-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104600681
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
4-hydroxy-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106011750
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide (CID 110418282) is 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is CC(C)OCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
The InChIKey is GUOHSZFGDOUDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-9(2)16-8-7-13-17(14,15)11-5-3-10(12)4-6-11/h3-6,9,13H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide?
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 110418282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).