8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide

C18H18N2O3S — CID 719055

IUPAC8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)c2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-23-16-9-10-17(15-8-5-12-19-18(15)16)24(21,22)20-13-11-14-6-3-2-4-7-14/h2-10,12,20H,11,13H2,1H3
InChIKeyJYNSSIMZPUPBLM-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.76
Rot. Bonds6

About 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide

8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide (PubChem CID 719055) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide.

Molecular Properties

Compound Name8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide
PubChem CID719055
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)c2cccnc12
InChIInChI=1S/C18H18N2O3S/c1-23-16-9-10-17(15-8-5-12-19-18(15)16)24(21,22)20-13-11-14-6-3-2-4-7-14/h2-10,12,20H,11,13H2,1H3
InChIKeyJYNSSIMZPUPBLM-UHFFFAOYSA-N
XLogP2.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Actinoquinol
CID 23674
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
N-(4-[4-[(6-Butyl-8-quinolinyl)oxy]-1-piperidinyl]butyl)ethanesulfonamide, dihydrochloride salt
CID 25164128
4-[4-(6-butylquinolin-8-yl)oxypiperidin-1-yl]-N-propylbutane-1-sulfonamide
CID 25189510
6-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173771
5-fluoro-1-((4-methoxy-3-(piperazin-1-yl)phenyl)sulfonyl)-3-methyl-1H-indole
CID 118173792
US9663498, Example 23
CID 118181441
3-(difluoromethyl)-6-fluoro-1-((4-methoxy-3-(piperazin-1-yl) phenyl)sulfonyl)-1H-indole
CID 118181454
N-benzyl-N-ethyl-8-methoxyquinoline-5-sulfonamide
CID 1267630
N,N-dibutyl-8-methoxyquinoline-5-sulfonamide
CID 613863
N-butyl-8-methoxyquinoline-5-sulfonamide
CID 626312
4-(Quinolinoxy)-3-pyridinesulfonamide
CID 45028568

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide?
The IUPAC name of 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide (CID 719055) is 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide.
What is the SMILES notation for 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide?
The canonical SMILES for 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2)c2cccnc12.
What is the InChIKey of 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide?
The InChIKey is JYNSSIMZPUPBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-23-16-9-10-17(15-8-5-12-19-18(15)16)24(21,22)20-13-11-14-6-3-2-4-7-14/h2-10,12,20H,11,13H2,1H3.
What are the key properties of 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide?
8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-phenylethyl)quinoline-5-sulfonamide is sourced from PubChem (CID 719055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).