N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide

C20H20N4O6S — CID 41246500

IUPACN-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nn2)cc1
InChIInChI=1S/C20H20N4O6S/c1-2-29-17-7-3-15(4-8-17)19-11-12-20(23-22-19)30-14-13-21-31(27,28)18-9-5-16(6-10-18)24(25)26/h3-12,21H,2,13-14H2,1H3
InChIKeyCFOGXLDRVARONV-UHFFFAOYSA-N
MW444.47 g/mol
LogP2.81
Rot. Bonds10

About N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide

N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide (PubChem CID 41246500) has the molecular formula C20H20N4O6S and a molecular weight of 444.47 g/mol. Its IUPAC name is N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide
PubChem CID41246500
Molecular FormulaC20H20N4O6S
Molecular Weight444.47 g/mol
Exact Mass444.11
IUPAC NameN-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide
SMILESCCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nn2)cc1
InChIInChI=1S/C20H20N4O6S/c1-2-29-17-7-3-15(4-8-17)19-11-12-20(23-22-19)30-14-13-21-31(27,28)18-9-5-16(6-10-18)24(25)26/h3-12,21H,2,13-14H2,1H3
InChIKeyCFOGXLDRVARONV-UHFFFAOYSA-N
XLogP2.81
TPSA133.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246496
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 41246550
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
3-nitro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 18588329
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41247009
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
4-ethoxy-N-[2-[(4-nitrophenyl)sulfonylamino]ethyl]benzamide
CID 108572022
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
3-nitro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 7524051

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide?
The IUPAC name of N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide (CID 41246500) is N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide?
The canonical SMILES for N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide is CCOc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nn2)cc1.
What is the InChIKey of N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide?
The InChIKey is CFOGXLDRVARONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6S/c1-2-29-17-7-3-15(4-8-17)19-11-12-20(23-22-19)30-14-13-21-31(27,28)18-9-5-16(6-10-18)24(25)26/h3-12,21H,2,13-14H2,1H3.
What are the key properties of N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide?
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide has a molecular weight of 444.47 g/mol, XLogP of 2.81, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide is sourced from PubChem (CID 41246500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).