3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

C21H23N3O3S — CID 41246365

IUPAC3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)cc(C)c3)nn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-4-6-18(7-5-15)20-8-9-21(24-23-20)27-11-10-22-28(25,26)19-13-16(2)12-17(3)14-19/h4-9,12-14,22H,10-11H2,1-3H3
InChIKeyDUDHEFGLEOXSQI-UHFFFAOYSA-N
MW397.50 g/mol
LogP3.43
Rot. Bonds7

About 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 41246365) has the molecular formula C21H23N3O3S and a molecular weight of 397.50 g/mol. Its IUPAC name is 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID41246365
Molecular FormulaC21H23N3O3S
Molecular Weight397.50 g/mol
Exact Mass397.15
IUPAC Name3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)cc(C)c3)nn2)cc1
InChIInChI=1S/C21H23N3O3S/c1-15-4-6-18(7-5-15)20-8-9-21(24-23-20)27-11-10-22-28(25,26)19-13-16(2)12-17(3)14-19/h4-9,12-14,22H,10-11H2,1-3H3
InChIKeyDUDHEFGLEOXSQI-UHFFFAOYSA-N
XLogP3.43
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845013
3-fluoro-4-methoxy-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 26845004
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 27509470
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
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
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 41246455
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]methanesulfonamide
CID 41246392
2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246415
2-methyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1,3-benzothiazole-6-sulfonamide
CID 41246315

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 41246365) is 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3cc(C)cc(C)c3)nn2)cc1.
What is the InChIKey of 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is DUDHEFGLEOXSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3S/c1-15-4-6-18(7-5-15)20-8-9-21(24-23-20)27-11-10-22-28(25,26)19-13-16(2)12-17(3)14-19/h4-9,12-14,22H,10-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 41246365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).