4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide

C19H19N3O4S — CID 27443621

IUPAC4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C19H19N3O4S/c1-25-16-7-9-17(10-8-16)27(23,24)20-13-14-26-19-12-11-18(21-22-19)15-5-3-2-4-6-15/h2-12,20H,13-14H2,1H3
InChIKeyXJLKHTLEEARHFJ-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.51
Rot. Bonds8

About 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide

4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide (PubChem CID 27443621) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
PubChem CID27443621
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C19H19N3O4S/c1-25-16-7-9-17(10-8-16)27(23,24)20-13-14-26-19-12-11-18(21-22-19)15-5-3-2-4-6-15/h2-12,20H,13-14H2,1H3
InChIKeyXJLKHTLEEARHFJ-UHFFFAOYSA-N
XLogP2.51
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.51
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

N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
2-methyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1,3-benzothiazole-6-sulfonamide
CID 41246315
4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
3-nitro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 18588329
2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27475732
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-nitrobenzenesulfonamide
CID 41246500
4-acetyl-N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246496
5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27444766
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 41246550
3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide
CID 16823927

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide (CID 27443621) is 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCCOc2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The InChIKey is XJLKHTLEEARHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-16-7-9-17(10-8-16)27(23,24)20-13-14-26-19-12-11-18(21-22-19)15-5-3-2-4-6-15/h2-12,20H,13-14H2,1H3.
What are the key properties of 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 27443621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).