4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

C16H14ClN3O4S — CID 41246889

IUPAC4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4S/c17-12-3-5-13(6-4-12)25(21,22)18-9-11-24-16-8-7-14(19-20-16)15-2-1-10-23-15/h1-8,10,18H,9,11H2
InChIKeyWHMWXQLNMRGGQO-UHFFFAOYSA-N
MW379.83 g/mol
LogP2.75
Rot. Bonds7

About 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 41246889) has the molecular formula C16H14ClN3O4S and a molecular weight of 379.83 g/mol. Its IUPAC name is 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID41246889
Molecular FormulaC16H14ClN3O4S
Molecular Weight379.83 g/mol
Exact Mass379.04
IUPAC Name4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O4S/c17-12-3-5-13(6-4-12)25(21,22)18-9-11-24-16-8-7-14(19-20-16)15-2-1-10-23-15/h1-8,10,18H,9,11H2
InChIKeyWHMWXQLNMRGGQO-UHFFFAOYSA-N
XLogP2.75
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246920
N-[4-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethylsulfamoyl]phenyl]acetamide
CID 41246898
5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 41246917
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 18588399
2-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246880
2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246883
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
5-ethyl-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 18588400
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 41246930
5-bromo-2-ethoxy-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246894
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 41246889) is 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is WHMWXQLNMRGGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S/c17-12-3-5-13(6-4-12)25(21,22)18-9-11-24-16-8-7-14(19-20-16)15-2-1-10-23-15/h1-8,10,18H,9,11H2.
What are the key properties of 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide has a molecular weight of 379.83 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).