N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide

C16H15N3O3S — CID 54437426

IUPACN-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc3ccccc23)nn1
InChIInChI=1S/C16H15N3O3S/c1-2-22-16-11-10-15(17-18-16)19-23(20,21)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3,(H,17,19)
InChIKeyWLSAOUABIBQHNP-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.83
Rot. Bonds5

About N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide

N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide (PubChem CID 54437426) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide.

Molecular Properties

Compound NameN-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide
PubChem CID54437426
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cccc3ccccc23)nn1
InChIInChI=1S/C16H15N3O3S/c1-2-22-16-11-10-15(17-18-16)19-23(20,21)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3,(H,17,19)
InChIKeyWLSAOUABIBQHNP-UHFFFAOYSA-N
XLogP2.83
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide?
The IUPAC name of N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide (CID 54437426) is N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide.
What is the SMILES notation for N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide?
The canonical SMILES for N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cccc3ccccc23)nn1.
What is the InChIKey of N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide?
The InChIKey is WLSAOUABIBQHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-2-22-16-11-10-15(17-18-16)19-23(20,21)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3,(H,17,19).
What are the key properties of N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide?
N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxypyridazin-3-yl)naphthalene-1-sulfonamide is sourced from PubChem (CID 54437426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).