N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide

C11H14FNO3S — CID 60640045

IUPACN-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide
SMILESC=COCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c1-2-16-9-3-8-13-17(14,15)11-6-4-10(12)5-7-11/h2,4-7,13H,1,3,8-9H2
InChIKeyBJASEDPADBYZLS-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.65
Rot. Bonds7

About N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide

N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide (PubChem CID 60640045) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide
PubChem CID60640045
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC NameN-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide
SMILESC=COCCCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO3S/c1-2-16-9-3-8-13-17(14,15)11-6-4-10(12)5-7-11/h2,4-7,13H,1,3,8-9H2
InChIKeyBJASEDPADBYZLS-UHFFFAOYSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
N-[3-(4-fluorophenoxy)propyl]benzenesulfonamide
CID 110288244
4-fluoro-N-(5-iodopentyl)benzenesulfonamide
CID 107322828
4-fluoro-N-(3-methylsulfonylpropyl)benzenesulfonamide
CID 47298915
N-[3-(ethylamino)propyl]-4-fluorobenzenesulfonamide
CID 43606529
N-(3-cyanopropyl)-4-fluorobenzenesulfonamide
CID 62668481
4-fluoro-N-(4-hydrazinyl-4-oxobutyl)benzenesulfonamide
CID 135347429
N-(3-ethenoxypropyl)naphthalene-1-sulfonamide
CID 114795784
4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 110418282
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
4-fluoro-N-(4-phenylbutyl)benzenesulfonamide
CID 3765011

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide (CID 60640045) is N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide is C=COCCCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide?
The InChIKey is BJASEDPADBYZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c1-2-16-9-3-8-13-17(14,15)11-6-4-10(12)5-7-11/h2,4-7,13H,1,3,8-9H2.
What are the key properties of N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide?
N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide has a molecular weight of 259.30 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 60640045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).