4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

C19H20N2O3S — CID 5298343

IUPAC4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-15-8-10-17(11-9-15)25(22,23)21-13-14-24-18-7-3-5-16-6-4-12-20-19(16)18/h3-12,21H,2,13-14H2,1H3
InChIKeyVAWNPYIITPZPJY-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.15
Rot. Bonds7

About 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide

4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (PubChem CID 5298343) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
PubChem CID5298343
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1
InChIInChI=1S/C19H20N2O3S/c1-2-15-8-10-17(11-9-15)25(22,23)21-13-14-24-18-7-3-5-16-6-4-12-20-19(16)18/h3-12,21H,2,13-14H2,1H3
InChIKeyVAWNPYIITPZPJY-UHFFFAOYSA-N
XLogP3.15
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide (CID 5298343) is 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)NCCOc2cccc3cccnc23)cc1.
What is the InChIKey of 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
The InChIKey is VAWNPYIITPZPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-2-15-8-10-17(11-9-15)25(22,23)21-13-14-24-18-7-3-5-16-6-4-12-20-19(16)18/h3-12,21H,2,13-14H2,1H3.
What are the key properties of 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide?
4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide has a molecular weight of 356.45 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide is sourced from PubChem (CID 5298343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).