N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide

C23H20N2O4S — CID 118873478

IUPACN-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2cc(NS(=O)(=O)c3ccc(C)cc3)c3ncccc3c2)cc1
InChIInChI=1S/C23H20N2O4S/c1-16-5-11-21(12-6-16)30(26,27)25-22-15-20(14-17-4-3-13-24-23(17)22)29-19-9-7-18(28-2)8-10-19/h3-15,25H,1-2H3
InChIKeyZOROTGIUNHRAMJ-UHFFFAOYSA-N
MW420.49 g/mol
LogP5.14
Rot. Bonds6

About N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide

N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide (PubChem CID 118873478) has the molecular formula C23H20N2O4S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
PubChem CID118873478
Molecular FormulaC23H20N2O4S
Molecular Weight420.49 g/mol
Exact Mass420.11
IUPAC NameN-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(Oc2cc(NS(=O)(=O)c3ccc(C)cc3)c3ncccc3c2)cc1
InChIInChI=1S/C23H20N2O4S/c1-16-5-11-21(12-6-16)30(26,27)25-22-15-20(14-17-4-3-13-24-23(17)22)29-19-9-7-18(28-2)8-10-19/h3-15,25H,1-2H3
InChIKeyZOROTGIUNHRAMJ-UHFFFAOYSA-N
XLogP5.14
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide (CID 118873478) is N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide is COc1ccc(Oc2cc(NS(=O)(=O)c3ccc(C)cc3)c3ncccc3c2)cc1.
What is the InChIKey of N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
The InChIKey is ZOROTGIUNHRAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4S/c1-16-5-11-21(12-6-16)30(26,27)25-22-15-20(14-17-4-3-13-24-23(17)22)29-19-9-7-18(28-2)8-10-19/h3-15,25H,1-2H3.
What are the key properties of N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide?
N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide has a molecular weight of 420.49 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenoxy)quinolin-8-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 118873478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).