4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide

C22H17FN2O3S — CID 14127681

IUPAC4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1COc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O3S/c23-18-10-12-19(13-11-18)29(26,27)25-20-8-2-1-5-17(20)15-28-21-9-3-6-16-7-4-14-24-22(16)21/h1-14,25H,15H2
InChIKeyGDOLGCFJCKNDJL-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.75
Rot. Bonds6

About 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide

4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide (PubChem CID 14127681) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide
PubChem CID14127681
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC Name4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1COc1cccc2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C22H17FN2O3S/c23-18-10-12-19(13-11-18)29(26,27)25-20-8-2-1-5-17(20)15-28-21-9-3-6-16-7-4-14-24-22(16)21/h1-14,25H,15H2
InChIKeyGDOLGCFJCKNDJL-UHFFFAOYSA-N
XLogP4.75
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide (CID 14127681) is 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccccc1COc1cccc2cccnc12)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide?
The InChIKey is GDOLGCFJCKNDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c23-18-10-12-19(13-11-18)29(26,27)25-20-8-2-1-5-17(20)15-28-21-9-3-6-16-7-4-14-24-22(16)21/h1-14,25H,15H2.
What are the key properties of 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide?
4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide has a molecular weight of 408.45 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(quinolin-8-yloxymethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 14127681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).