3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide

C16H14FN3O3S2 — CID 41246988

IUPAC3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1cccc(F)c1
InChIInChI=1S/C16H14FN3O3S2/c17-12-3-1-4-13(11-12)25(21,22)18-8-9-23-16-7-6-14(19-20-16)15-5-2-10-24-15/h1-7,10-11,18H,8-9H2
InChIKeyFIFSXABEJFMRFZ-UHFFFAOYSA-N
MW379.44 g/mol
LogP2.70
Rot. Bonds7

About 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide

3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide (PubChem CID 41246988) has the molecular formula C16H14FN3O3S2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
PubChem CID41246988
Molecular FormulaC16H14FN3O3S2
Molecular Weight379.44 g/mol
Exact Mass379.05
IUPAC Name3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1cccc(F)c1
InChIInChI=1S/C16H14FN3O3S2/c17-12-3-1-4-13(11-12)25(21,22)18-8-9-23-16-7-6-14(19-20-16)15-5-2-10-24-15/h1-7,10-11,18H,8-9H2
InChIKeyFIFSXABEJFMRFZ-UHFFFAOYSA-N
XLogP2.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]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

N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41247032
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide
CID 41247021
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41247052
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41247009
5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
CID 41247027
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246920
3-nitro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 18588329
N-[2-(3,5-dimethylphenoxy)ethyl]-3-fluorobenzenesulfonamide
CID 30365901
2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246415

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide (CID 41246988) is 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The InChIKey is FIFSXABEJFMRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S2/c17-12-3-1-4-13(11-12)25(21,22)18-8-9-23-16-7-6-14(19-20-16)15-5-2-10-24-15/h1-7,10-11,18H,8-9H2.
What are the key properties of 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide has a molecular weight of 379.44 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).