N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

C19H21N3O5S — CID 41246930

IUPACN-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCOc2ccc(-c3ccco3)nn2)cc1C
InChIInChI=1S/C19H21N3O5S/c1-13-12-18(14(2)11-17(13)25-3)28(23,24)20-8-10-27-19-7-6-15(21-22-19)16-5-4-9-26-16/h4-7,9,11-12,20H,8,10H2,1-3H3
InChIKeyDTEBMNFHBBNNFZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP2.72
Rot. Bonds8

About N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide

N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (PubChem CID 41246930) has the molecular formula C19H21N3O5S and a molecular weight of 403.46 g/mol. Its IUPAC name is N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
PubChem CID41246930
Molecular FormulaC19H21N3O5S
Molecular Weight403.46 g/mol
Exact Mass403.12
IUPAC NameN-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)c(S(=O)(=O)NCCOc2ccc(-c3ccco3)nn2)cc1C
InChIInChI=1S/C19H21N3O5S/c1-13-12-18(14(2)11-17(13)25-3)28(23,24)20-8-10-27-19-7-6-15(21-22-19)16-5-4-9-26-16/h4-7,9,11-12,20H,8,10H2,1-3H3
InChIKeyDTEBMNFHBBNNFZ-UHFFFAOYSA-N
XLogP2.72
TPSA103.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 52.72
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

2-fluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246880
5-bromo-2-ethoxy-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246894
2,5-difluoro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246883
2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27475732
4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246889
5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 41246917
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-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]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 18588399
4-methoxy-N-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,5-dimethylbenzenesulfonamide
CID 113101876
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide (CID 41246930) is N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is COc1cc(C)c(S(=O)(=O)NCCOc2ccc(-c3ccco3)nn2)cc1C.
What is the InChIKey of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
The InChIKey is DTEBMNFHBBNNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5S/c1-13-12-18(14(2)11-17(13)25-3)28(23,24)20-8-10-27-19-7-6-15(21-22-19)16-5-4-9-26-16/h4-7,9,11-12,20H,8,10H2,1-3H3.
What are the key properties of N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide?
N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide has a molecular weight of 403.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]-4-methoxy-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 41246930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).