N-(2-phenoxyethyl)quinoline-8-sulfonamide

C17H16N2O3S — CID 3776946

IUPACN-(2-phenoxyethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C17H16N2O3S/c20-23(21,19-12-13-22-15-8-2-1-3-9-15)16-10-4-6-14-7-5-11-18-17(14)16/h1-11,19H,12-13H2
InChIKeyLLWDLDCTTLGNKT-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.59
Rot. Bonds6

About N-(2-phenoxyethyl)quinoline-8-sulfonamide

N-(2-phenoxyethyl)quinoline-8-sulfonamide (PubChem CID 3776946) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is N-(2-phenoxyethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)quinoline-8-sulfonamide
PubChem CID3776946
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC NameN-(2-phenoxyethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCCOc1ccccc1)c1cccc2cccnc12
InChIInChI=1S/C17H16N2O3S/c20-23(21,19-12-13-22-15-8-2-1-3-9-15)16-10-4-6-14-7-5-11-18-17(14)16/h1-11,19H,12-13H2
InChIKeyLLWDLDCTTLGNKT-UHFFFAOYSA-N
XLogP2.59
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.59
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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Related Compounds

2-(aminomethyl)-N-(2-phenoxyethyl)pyridine-3-sulfonamide
CID 106594268
N-butylquinoline-8-sulfonamide
CID 2068304
2-amino-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
CID 126467495
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
9,10-dioxo-N-(2-phenoxyethyl)anthracene-1-sulfonamide
CID 3855904
2-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 2302768
N-(2-methoxy-2-phenylbutyl)quinoline-8-sulfonamide
CID 90599654
N-[2-(1H-imidazol-5-yl)ethyl]quinoline-8-sulfonamide
CID 4619893
N-(3-pyrrolo[2,3-b]pyridin-1-ylpropyl)quinoline-8-sulfonamide
CID 90556457
N-[(3-fluoro-4-methylphenyl)methyl]quinoline-8-sulfonamide
CID 4685114
N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
2-methyl-3-nitro-N-(2-phenoxyethyl)benzenesulfonamide
CID 35609002

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)quinoline-8-sulfonamide?
The IUPAC name of N-(2-phenoxyethyl)quinoline-8-sulfonamide (CID 3776946) is N-(2-phenoxyethyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2-phenoxyethyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2-phenoxyethyl)quinoline-8-sulfonamide is O=S(=O)(NCCOc1ccccc1)c1cccc2cccnc12.
What is the InChIKey of N-(2-phenoxyethyl)quinoline-8-sulfonamide?
The InChIKey is LLWDLDCTTLGNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c20-23(21,19-12-13-22-15-8-2-1-3-9-15)16-10-4-6-14-7-5-11-18-17(14)16/h1-11,19H,12-13H2.
What are the key properties of N-(2-phenoxyethyl)quinoline-8-sulfonamide?
N-(2-phenoxyethyl)quinoline-8-sulfonamide has a molecular weight of 328.39 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 3776946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).