N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide

C18H18N2O3S — CID 714989

IUPACN-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(OC)c3ncccc23)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-13-6-8-14(9-7-13)20-24(21,22)17-11-10-16(23-2)18-15(17)5-4-12-19-18/h4-12,20H,3H2,1-2H3
InChIKeyVVWPAWOBHWSMHB-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.61
Rot. Bonds5

About N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide

N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide (PubChem CID 714989) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide
PubChem CID714989
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide
SMILESCCc1ccc(NS(=O)(=O)c2ccc(OC)c3ncccc23)cc1
InChIInChI=1S/C18H18N2O3S/c1-3-13-6-8-14(9-7-13)20-24(21,22)17-11-10-16(23-2)18-15(17)5-4-12-19-18/h4-12,20H,3H2,1-2H3
InChIKeyVVWPAWOBHWSMHB-UHFFFAOYSA-N
XLogP3.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.61
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 N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide?
The IUPAC name of N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide (CID 714989) is N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide.
What is the SMILES notation for N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide?
The canonical SMILES for N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide is CCc1ccc(NS(=O)(=O)c2ccc(OC)c3ncccc23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide?
The InChIKey is VVWPAWOBHWSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-3-13-6-8-14(9-7-13)20-24(21,22)17-11-10-16(23-2)18-15(17)5-4-12-19-18/h4-12,20H,3H2,1-2H3.
What are the key properties of N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide?
N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-8-methoxyquinoline-5-sulfonamide is sourced from PubChem (CID 714989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).