2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide

C19H18ClN3O3S — CID 27509470

IUPAC2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccccc3Cl)nn2)cc1
InChIInChI=1S/C19H18ClN3O3S/c1-14-6-8-15(9-7-14)17-10-11-19(23-22-17)26-13-12-21-27(24,25)18-5-3-2-4-16(18)20/h2-11,21H,12-13H2,1H3
InChIKeyTWACEHLMHDMBOR-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.46
Rot. Bonds7

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

2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (PubChem CID 27509470) has the molecular formula C19H18ClN3O3S and a molecular weight of 403.89 g/mol. Its IUPAC name is 2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
PubChem CID27509470
Molecular FormulaC19H18ClN3O3S
Molecular Weight403.89 g/mol
Exact Mass403.08
IUPAC Name2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccccc3Cl)nn2)cc1
InChIInChI=1S/C19H18ClN3O3S/c1-14-6-8-15(9-7-14)17-10-11-19(23-22-17)26-13-12-21-27(24,25)18-5-3-2-4-16(18)20/h2-11,21H,12-13H2,1H3
InChIKeyTWACEHLMHDMBOR-UHFFFAOYSA-N
XLogP3.46
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.46
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

2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246456
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
2-chloro-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 7509950
2,4,5-trimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27475732
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27564854
N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]-2-(trifluoromethyl)benzenesulfonamide
CID 41246444
2,3-dichloro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349149
3,5-dimethyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1H-pyrazole-4-sulfonamide
CID 16823927
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
2,5-difluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246415
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide (CID 27509470) is 2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is Cc1ccc(-c2ccc(OCCNS(=O)(=O)c3ccccc3Cl)nn2)cc1.
What is the InChIKey of 2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
The InChIKey is TWACEHLMHDMBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S/c1-14-6-8-15(9-7-14)17-10-11-19(23-22-17)26-13-12-21-27(24,25)18-5-3-2-4-16(18)20/h2-11,21H,12-13H2,1H3.
What are the key properties of 2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide?
2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide has a molecular weight of 403.89 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide is sourced from PubChem (CID 27509470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).