3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide

C12H15FN2O4S — CID 63239187

IUPAC3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C12H15FN2O4S/c1-18-6-7-19-5-4-15-20(16,17)11-2-3-12(13)10(8-11)9-14/h2-3,8,15H,4-7H2,1H3
InChIKeyXQQAFKCXSYZLDG-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.64
Rot. Bonds8

About 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide

3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide (PubChem CID 63239187) has the molecular formula C12H15FN2O4S and a molecular weight of 302.33 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
PubChem CID63239187
Molecular FormulaC12H15FN2O4S
Molecular Weight302.33 g/mol
Exact Mass302.07
IUPAC Name3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
SMILESCOCCOCCNS(=O)(=O)c1ccc(F)c(C#N)c1
InChIInChI=1S/C12H15FN2O4S/c1-18-6-7-19-5-4-15-20(16,17)11-2-3-12(13)10(8-11)9-14/h2-3,8,15H,4-7H2,1H3
InChIKeyXQQAFKCXSYZLDG-UHFFFAOYSA-N
XLogP0.64
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide 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

3-cyano-4-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104600681
3-cyano-4-fluoro-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 63239611
3-fluoro-N-[2-(2-methoxyethoxy)ethyl]-4-nitrobenzenesulfonamide
CID 82847101
3-cyano-N-(2-cyanoethyl)-4-fluorobenzenesulfonamide
CID 55171923
3-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoic acid
CID 63288390
3-cyano-4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzenesulfonamide
CID 103835070
3-cyano-4-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 64911013
3-cyano-4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616452
3-cyano-4-ethoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 171134172
3-cyano-N-(2-cyanopropyl)-4-fluorobenzenesulfonamide
CID 63287874
3-cyano-4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 63288706
4-amino-3-methoxy-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide
CID 81437876

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The IUPAC name of 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide (CID 63239187) is 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide is COCCOCCNS(=O)(=O)c1ccc(F)c(C#N)c1.
What is the InChIKey of 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
The InChIKey is XQQAFKCXSYZLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O4S/c1-18-6-7-19-5-4-15-20(16,17)11-2-3-12(13)10(8-11)9-14/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide?
3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide has a molecular weight of 302.33 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-[2-(2-methoxyethoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 63239187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).