N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide

C20H20F3N3O3S — CID 148662887

IUPACN-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOCCNCc1ccc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C20H20F3N3O3S/c1-29-12-11-24-13-16-8-5-14-3-2-4-18(19(14)25-16)26-30(27,28)17-9-6-15(7-10-17)20(21,22)23/h2-10,24,26H,11-13H2,1H3
InChIKeyNODNSJYZFGNKNI-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.79
Rot. Bonds8

About N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide

N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 148662887) has the molecular formula C20H20F3N3O3S and a molecular weight of 439.46 g/mol. Its IUPAC name is N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID148662887
Molecular FormulaC20H20F3N3O3S
Molecular Weight439.46 g/mol
Exact Mass439.12
IUPAC NameN-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide
SMILESCOCCNCc1ccc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2n1
InChIInChI=1S/C20H20F3N3O3S/c1-29-12-11-24-13-16-8-5-14-3-2-4-18(19(14)25-16)26-30(27,28)17-9-6-15(7-10-17)20(21,22)23/h2-10,24,26H,11-13H2,1H3
InChIKeyNODNSJYZFGNKNI-UHFFFAOYSA-N
XLogP3.79
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.79
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-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]ethyl]acetamide
CID 142610126
2-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]ethyl]guanidine
CID 155381041
2,2,2-trifluoro-N-methyl-N-[2-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methylamino]acetyl]acetamide
CID 155646643
2-nitro-1-[[8-[[4-(trifluoromethyl)phenyl]sulfonylamino]quinolin-2-yl]methyl]guanidine
CID 142609933
N-[2-[(3,5-dichloro-2-hydroxyanilino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 155381156
2-(ethylaminomethyl)-N-[4-(trifluoromethyl)phenyl]sulfanylquinolin-8-amine
CID 142609996
cyclopropane;2-methoxy-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 169111641
3-amino-N-[2-(methylaminomethyl)quinolin-8-yl]benzenesulfonamide
CID 155380991
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-[2-[(dimethylamino)methyl]quinolin-8-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 155381016
2-[(pyridin-2-ylmethylamino)methyl]-N-[4-(trifluoromethyl)phenyl]sulfanylquinolin-8-amine
CID 142609945
4-ethoxy-N-(2-methylquinolin-8-yl)benzenesulfonamide
CID 110734192

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide (CID 148662887) is N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide is COCCNCc1ccc2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c2n1.
What is the InChIKey of N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NODNSJYZFGNKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3S/c1-29-12-11-24-13-16-8-5-14-3-2-4-18(19(14)25-16)26-30(27,28)17-9-6-15(7-10-17)20(21,22)23/h2-10,24,26H,11-13H2,1H3.
What are the key properties of N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 439.46 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-methoxyethylamino)methyl]quinolin-8-yl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 148662887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).