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

C19H18BrN3O4S — CID 27444766

IUPAC5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C19H18BrN3O4S/c1-26-17-9-7-15(20)13-18(17)28(24,25)21-11-12-27-19-10-8-16(22-23-19)14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3
InChIKeyVFLQBPMMUHLUIX-UHFFFAOYSA-N
MW464.34 g/mol
LogP3.27
Rot. Bonds8

About 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide

5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide (PubChem CID 27444766) has the molecular formula C19H18BrN3O4S and a molecular weight of 464.34 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
PubChem CID27444766
Molecular FormulaC19H18BrN3O4S
Molecular Weight464.34 g/mol
Exact Mass463.02
IUPAC Name5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1
InChIInChI=1S/C19H18BrN3O4S/c1-26-17-9-7-15(20)13-18(17)28(24,25)21-11-12-27-19-10-8-16(22-23-19)14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3
InChIKeyVFLQBPMMUHLUIX-UHFFFAOYSA-N
XLogP3.27
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.34
LogP ≤ 53.27
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

2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27475732
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
5-bromo-2-ethoxy-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246894
5-bromo-2-methoxy-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]benzenesulfonamide
CID 16825988
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
3-fluoro-4-methoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845004
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 27509470
3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide
CID 16823927
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246365
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
5-bromo-2-methoxy-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 113237489

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide (CID 27444766) is 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NCCOc1ccc(-c2ccccc2)nn1.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The InChIKey is VFLQBPMMUHLUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O4S/c1-26-17-9-7-15(20)13-18(17)28(24,25)21-11-12-27-19-10-8-16(22-23-19)14-5-3-2-4-6-14/h2-10,13,21H,11-12H2,1H3.
What are the key properties of 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide has a molecular weight of 464.34 g/mol, XLogP of 3.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 27444766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).