N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide

C15H14N4O3S2 — CID 41247021

IUPACN-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1cccnc1
InChIInChI=1S/C15H14N4O3S2/c20-24(21,12-3-1-7-16-11-12)17-8-9-22-15-6-5-13(18-19-15)14-4-2-10-23-14/h1-7,10-11,17H,8-9H2
InChIKeyYGGFAQIEWQKRSN-UHFFFAOYSA-N
MW362.44 g/mol
LogP1.96
Rot. Bonds7

About N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide

N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide (PubChem CID 41247021) has the molecular formula C15H14N4O3S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide
PubChem CID41247021
Molecular FormulaC15H14N4O3S2
Molecular Weight362.44 g/mol
Exact Mass362.05
IUPAC NameN-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1cccnc1
InChIInChI=1S/C15H14N4O3S2/c20-24(21,12-3-1-7-16-11-12)17-8-9-22-15-6-5-13(18-19-15)14-4-2-10-23-14/h1-7,10-11,17H,8-9H2
InChIKeyYGGFAQIEWQKRSN-UHFFFAOYSA-N
XLogP1.96
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 51.96
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
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41247032
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41247009
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41247052
5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
CID 41247027
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzamide
CID 41246750
N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]pyridine-3-sulfonamide
CID 7519314
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide (CID 41247021) is N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide is O=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1cccnc1.
What is the InChIKey of N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide?
The InChIKey is YGGFAQIEWQKRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S2/c20-24(21,12-3-1-7-16-11-12)17-8-9-22-15-6-5-13(18-19-15)14-4-2-10-23-14/h1-7,10-11,17H,8-9H2.
What are the key properties of N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide?
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide has a molecular weight of 362.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 41247021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).