N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide

C18H20N4O2S — CID 46966805

IUPACN-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide
SMILESCc1ccc2nc(C)cc(NCCNS(=O)(=O)c3cccnc3)c2c1
InChIInChI=1S/C18H20N4O2S/c1-13-5-6-17-16(10-13)18(11-14(2)22-17)20-8-9-21-25(23,24)15-4-3-7-19-12-15/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22)
InChIKeyAYBFHSFOGVUVDD-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.64
Rot. Bonds6

About N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide

N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide (PubChem CID 46966805) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide
PubChem CID46966805
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC NameN-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide
SMILESCc1ccc2nc(C)cc(NCCNS(=O)(=O)c3cccnc3)c2c1
InChIInChI=1S/C18H20N4O2S/c1-13-5-6-17-16(10-13)18(11-14(2)22-17)20-8-9-21-25(23,24)15-4-3-7-19-12-15/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22)
InChIKeyAYBFHSFOGVUVDD-UHFFFAOYSA-N
XLogP2.64
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2,6-dimethylquinolin-4-amine
CID 62201642
N-(2,6-dimethylquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine;hydrochloride
CID 126476329
N-propylpyridine-3-sulfonamide
CID 43258995
N-benzyl-2,6-dimethylquinolin-4-amine
CID 719873
N-[2-[(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316513
N-[2-(2-methoxyethylamino)ethyl]pyridine-3-sulfonamide
CID 83038911
N-(2,6-dimethylquinolin-4-yl)-N'-(6-methoxy-2-methylquinolin-4-yl)pentane-1,5-diamine
CID 11407724
N-[2-[(2-cyanoquinolin-4-yl)amino]ethyl]-2,5-dimethylbenzenesulfonamide
CID 133310166
N-(4-aminobutyl)pyridine-3-sulfonamide
CID 60893787
N-[2-[2-[(6-chloronaphthalen-1-yl)amino]ethyl-ethylamino]ethyl]pyridine-3-sulfonamide
CID 58152636
2-methyl-N-(2-methylsulfonylethyl)quinolin-4-amine
CID 54934838
N-[2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]pyridine-3-sulfonamide
CID 133423697

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide (CID 46966805) is N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide is Cc1ccc2nc(C)cc(NCCNS(=O)(=O)c3cccnc3)c2c1.
What is the InChIKey of N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is AYBFHSFOGVUVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-5-6-17-16(10-13)18(11-14(2)22-17)20-8-9-21-25(23,24)15-4-3-7-19-12-15/h3-7,10-12,21H,8-9H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide?
N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 356.45 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dimethylquinolin-4-yl)amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 46966805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).