N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide

C17H16BrN3O3S — CID 25038226

IUPACN-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)n2)c2cccnc12
InChIInChI=1S/C17H16BrN3O3S/c1-3-24-14-7-8-15(12-5-4-10-19-17(12)14)25(22,23)21-16-9-6-13(18)11(2)20-16/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyJZFQDMSLUMVKLP-UHFFFAOYSA-N
MW422.30 g/mol
LogP3.90
Rot. Bonds5

About N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide

N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide (PubChem CID 25038226) has the molecular formula C17H16BrN3O3S and a molecular weight of 422.30 g/mol. Its IUPAC name is N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide
PubChem CID25038226
Molecular FormulaC17H16BrN3O3S
Molecular Weight422.30 g/mol
Exact Mass421.01
IUPAC NameN-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)n2)c2cccnc12
InChIInChI=1S/C17H16BrN3O3S/c1-3-24-14-7-8-15(12-5-4-10-19-17(12)14)25(22,23)21-16-9-6-13(18)11(2)20-16/h4-10H,3H2,1-2H3,(H,20,21)
InChIKeyJZFQDMSLUMVKLP-UHFFFAOYSA-N
XLogP3.90
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(8-ethoxyquinolin-5-yl)sulfonylamino]benzamide
CID 25035028
N-(5-chloro-2-methylphenyl)-8-ethoxyquinoline-5-sulfonamide
CID 15998973
5-bromo-8-ethoxyquinoline
CID 100612531
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-ethoxyquinoline-5-sulfonamide
CID 12060450
N-(5-bromo-6-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-sulfonamide
CID 79048219
8-Ethoxy-5-quinolinesulfonic acid sodium salt monohydrate
CID 45157436
8-ethoxy-N-[2-(2-ethoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3684734
8-ethoxy-N-[3-(trifluoromethoxy)phenyl]quinoline-5-sulfonamide
CID 5186150
N-[1-(1-adamantyl)ethyl]-8-ethoxyquinoline-5-sulfonamide
CID 126478615
N-[diethoxyphosphoryl(phenyl)methyl]-8-ethoxyquinoline-5-sulfonamide
CID 3857191
8-methoxy-N-(4-methoxyphenyl)quinoline-5-sulfonamide
CID 729403
8-ethoxy-N-[2-(4-ethoxy-3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 3869525

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide?
The IUPAC name of N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide (CID 25038226) is N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide.
What is the SMILES notation for N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide?
The canonical SMILES for N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(Br)c(C)n2)c2cccnc12.
What is the InChIKey of N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide?
The InChIKey is JZFQDMSLUMVKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3S/c1-3-24-14-7-8-15(12-5-4-10-19-17(12)14)25(22,23)21-16-9-6-13(18)11(2)20-16/h4-10H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide?
N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide has a molecular weight of 422.30 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-6-methyl-2-pyridinyl)-8-ethoxyquinoline-5-sulfonamide is sourced from PubChem (CID 25038226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).