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

C17H16FN3O4S2 — CID 41246978

IUPAC5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(-c2cccs2)nn1
InChIInChI=1S/C17H16FN3O4S2/c1-24-14-6-4-12(18)11-16(14)27(22,23)19-8-9-25-17-7-5-13(20-21-17)15-3-2-10-26-15/h2-7,10-11,19H,8-9H2,1H3
InChIKeyWGIMPGRSVQPXJY-UHFFFAOYSA-N
MW409.46 g/mol
LogP2.71
Rot. Bonds8

About 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide

5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide (PubChem CID 41246978) has the molecular formula C17H16FN3O4S2 and a molecular weight of 409.46 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
PubChem CID41246978
Molecular FormulaC17H16FN3O4S2
Molecular Weight409.46 g/mol
Exact Mass409.06
IUPAC Name5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(-c2cccs2)nn1
InChIInChI=1S/C17H16FN3O4S2/c1-24-14-6-4-12(18)11-16(14)27(22,23)19-8-9-25-17-7-5-13(20-21-17)15-3-2-10-26-15/h2-7,10-11,19H,8-9H2,1H3
InChIKeyWGIMPGRSVQPXJY-UHFFFAOYSA-N
XLogP2.71
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246988
5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
CID 41247027
5-fluoro-2-methoxy-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 7693532
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-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27444766
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41247052
N-[2-(5-cyclopropyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 72718645
5-fluoro-2-methoxy-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]benzenesulfonamide
CID 121166393
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41247009
2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246415
5-chloro-N-[2-(2-chloro-4-fluorophenoxy)ethyl]-2-methoxybenzenesulfonamide
CID 113103026

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide (CID 41246978) is 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCOc1ccc(-c2cccs2)nn1.
What is the InChIKey of 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The InChIKey is WGIMPGRSVQPXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O4S2/c1-24-14-6-4-12(18)11-16(14)27(22,23)19-8-9-25-17-7-5-13(20-21-17)15-3-2-10-26-15/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide has a molecular weight of 409.46 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).