1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine

C21H19FN2O3S — CID 56588672

IUPAC1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-27-17-8-4-15(5-9-17)19-12-13-21-20(23-19)3-2-14-24(21)28(25,26)18-10-6-16(22)7-11-18/h4-13H,2-3,14H2,1H3
InChIKeyOATYMAOGMFLHIL-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.04
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine

1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 56588672) has the molecular formula C21H19FN2O3S and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID56588672
Molecular FormulaC21H19FN2O3S
Molecular Weight398.46 g/mol
Exact Mass398.11
IUPAC Name1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C21H19FN2O3S/c1-27-17-8-4-15(5-9-17)19-12-13-21-20(23-19)3-2-14-24(21)28(25,26)18-10-6-16(22)7-11-18/h4-13H,2-3,14H2,1H3
InChIKeyOATYMAOGMFLHIL-UHFFFAOYSA-N
XLogP4.04
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588648
1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588669
5-fluoro-1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindole
CID 3575663
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-4-methoxybenzenesulfonamide
CID 18565201
4-methoxy-N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide
CID 27443628
6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588655
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2,4-dimethoxybenzenesulfonamide
CID 43990532
N-[1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]-2-methylpropane-1-sulfonamide
CID 43955928
4-(4-fluorophenyl)-2-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazole
CID 25191881
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
2-(4-fluorophenyl)sulfonyl-7-(4-methoxyphenyl)sulfonyl-2,7-diazaspiro[3.5]nonane
CID 118386146
1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714845

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine (CID 56588672) is 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine is COc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is OATYMAOGMFLHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3S/c1-27-17-8-4-15(5-9-17)19-12-13-21-20(23-19)3-2-14-24(21)28(25,26)18-10-6-16(22)7-11-18/h4-13H,2-3,14H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine?
1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 398.46 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 56588672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).