4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide

C21H15FN2O3S — CID 14127632

IUPAC4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2cccc3cccnc23)c1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN2O3S/c22-16-9-11-19(12-10-16)28(25,26)24-17-6-2-7-18(14-17)27-20-8-1-4-15-5-3-13-23-21(15)20/h1-14,24H
InChIKeyOLTGSPUVKPYSSS-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.97
Rot. Bonds5

About 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide

4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide (PubChem CID 14127632) has the molecular formula C21H15FN2O3S and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
PubChem CID14127632
Molecular FormulaC21H15FN2O3S
Molecular Weight394.43 g/mol
Exact Mass394.08
IUPAC Name4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(Oc2cccc3cccnc23)c1)c1ccc(F)cc1
InChIInChI=1S/C21H15FN2O3S/c22-16-9-11-19(12-10-16)28(25,26)24-17-6-2-7-18(14-17)27-20-8-1-4-15-5-3-13-23-21(15)20/h1-14,24H
InChIKeyOLTGSPUVKPYSSS-UHFFFAOYSA-N
XLogP4.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-quinolin-8-yloxy-N-(1,2,5-thiadiazol-3-yl)benzenesulfonamide
CID 167946495
N-cyclopentyl-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 53117616
8-(4-methylsulfonylphenoxy)quinoline
CID 11220281
4-fluoro-N-(6-methoxyquinolin-8-yl)benzenesulfonamide
CID 16604844
N-[3-(2-aminoethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 28755040
4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16825197
N-[(2S)-butan-2-yl]-2-[3-[(4-fluorophenyl)sulfonylamino]phenoxy]pyridine-3-carboxamide
CID 95088443
4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide
CID 19769793
4-[(4-fluorophenyl)sulfonylamino]-N-pyrimidin-2-ylbenzenesulfonamide
CID 1164234
4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784214
3-[(4-fluorophenyl)sulfonylamino]-N-(2-phenoxyphenyl)benzamide
CID 121042034
3,4-difluoro-N-(3-pyrazin-2-yloxyphenyl)benzenesulfonamide
CID 31912152

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide (CID 14127632) is 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(Oc2cccc3cccnc23)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide?
The InChIKey is OLTGSPUVKPYSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O3S/c22-16-9-11-19(12-10-16)28(25,26)24-17-6-2-7-18(14-17)27-20-8-1-4-15-5-3-13-23-21(15)20/h1-14,24H.
What are the key properties of 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide?
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide has a molecular weight of 394.43 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 14127632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).