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

C16H14ClN3O4S — CID 41246920

IUPAC3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O4S/c17-12-3-1-4-13(11-12)25(21,22)18-8-10-24-16-7-6-14(19-20-16)15-5-2-9-23-15/h1-7,9,11,18H,8,10H2
InChIKeyLUQCFBJJJAGPNU-UHFFFAOYSA-N
MW379.83 g/mol
LogP2.75
Rot. Bonds7

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

3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 41246920) has the molecular formula C16H14ClN3O4S and a molecular weight of 379.83 g/mol. Its IUPAC name is 3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID41246920
Molecular FormulaC16H14ClN3O4S
Molecular Weight379.83 g/mol
Exact Mass379.04
IUPAC Name3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O4S/c17-12-3-1-4-13(11-12)25(21,22)18-8-10-24-16-7-6-14(19-20-16)15-5-2-9-23-15/h1-7,9,11,18H,8,10H2
InChIKeyLUQCFBJJJAGPNU-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

4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246889
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 18588399
5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 41246917
2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246883
2-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246880
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-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
N-[2-(4-bromophenoxy)ethyl]-3-chlorobenzenesulfonamide
CID 113099755
3-nitro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 18588329
3-chloro-N-[2-(2,4,5-trimethylphenoxy)ethyl]benzenesulfonamide
CID 113101307

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 41246920) is 3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2ccco2)nn1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is LUQCFBJJJAGPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S/c17-12-3-1-4-13(11-12)25(21,22)18-8-10-24-16-7-6-14(19-20-16)15-5-2-9-23-15/h1-7,9,11,18H,8,10H2.
What are the key properties of 3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
3-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 3-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).