N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide

C18H18N2O3S — CID 3716853

IUPACN-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C18H18N2O3S/c1-13(15-7-3-9-16(12-15)23-2)20-24(21,22)17-10-4-6-14-8-5-11-19-18(14)17/h3-13,20H,1-2H3
InChIKeyDOGKCLKUYKOWRC-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.28
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide

N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide (PubChem CID 3716853) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
PubChem CID3716853
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
SMILESCOc1cccc(C(C)NS(=O)(=O)c2cccc3cccnc23)c1
InChIInChI=1S/C18H18N2O3S/c1-13(15-7-3-9-16(12-15)23-2)20-24(21,22)17-10-4-6-14-8-5-11-19-18(14)17/h3-13,20H,1-2H3
InChIKeyDOGKCLKUYKOWRC-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
8-ethoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]quinoline-5-sulfonamide
CID 25039412
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
N-[1-(3-methoxyphenyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691931
methyl (2R)-2-phenyl-2-(quinolin-8-ylsulfonylamino)acetate
CID 74225728
N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
CID 74229134
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
CID 6464788
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
3-methyl-N-(1-phenylethyl)quinoline-8-sulfonamide
CID 46518023

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide (CID 3716853) is N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide is COc1cccc(C(C)NS(=O)(=O)c2cccc3cccnc23)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide?
The InChIKey is DOGKCLKUYKOWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13(15-7-3-9-16(12-15)23-2)20-24(21,22)17-10-4-6-14-8-5-11-19-18(14)17/h3-13,20H,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide?
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide is sourced from PubChem (CID 3716853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).