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

C18H16ClN3O3S — CID 27564854

IUPAC4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3S/c19-15-6-8-16(9-7-15)26(23,24)20-12-13-25-18-11-10-17(21-22-18)14-4-2-1-3-5-14/h1-11,20H,12-13H2
InChIKeyYBTHSKQXTDVFOO-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.15
Rot. Bonds7

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

4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide (PubChem CID 27564854) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is 4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
PubChem CID27564854
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC Name4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(Cl)cc1
InChIInChI=1S/C18H16ClN3O3S/c19-15-6-8-16(9-7-15)26(23,24)20-12-13-25-18-11-10-17(21-22-18)14-4-2-1-3-5-14/h1-11,20H,12-13H2
InChIKeyYBTHSKQXTDVFOO-UHFFFAOYSA-N
XLogP3.15
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.15
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
4-methoxy-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 27443621
4-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246889
4-fluoro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246414
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
2-methyl-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-1,3-benzothiazole-6-sulfonamide
CID 41246315
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
N-[2-[6-(4-ethoxyphenyl)pyridazin-3-yl]oxyethyl]-4-methoxybenzenesulfonamide
CID 41246477
2,3-dichloro-N-[2-[6-(4-fluorophenyl)pyridazin-3-yl]oxyethyl]benzenesulfonamide
CID 41246456

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide (CID 27564854) is 4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide is O=S(=O)(NCCOc1ccc(-c2ccccc2)nn1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
The InChIKey is YBTHSKQXTDVFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c19-15-6-8-16(9-7-15)26(23,24)20-12-13-25-18-11-10-17(21-22-18)14-4-2-1-3-5-14/h1-11,20H,12-13H2.
What are the key properties of 4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide?
4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide has a molecular weight of 389.86 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzenesulfonamide is sourced from PubChem (CID 27564854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).