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

C20H17FN2O2S — CID 56588669

IUPAC1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C20H17FN2O2S/c21-16-8-10-17(11-9-16)26(24,25)23-14-4-7-19-20(23)13-12-18(22-19)15-5-2-1-3-6-15/h1-3,5-6,8-13H,4,7,14H2
InChIKeyNKLKIMQBBUIJAZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.03
Rot. Bonds3

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

1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 56588669) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID56588669
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCCc2nc(-c3ccccc3)ccc21
InChIInChI=1S/C20H17FN2O2S/c21-16-8-10-17(11-9-16)26(24,25)23-14-4-7-19-20(23)13-12-18(22-19)15-5-2-1-3-6-15/h1-3,5-6,8-13H,4,7,14H2
InChIKeyNKLKIMQBBUIJAZ-UHFFFAOYSA-N
XLogP4.03
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)sulfonyl-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
CID 56588672
6-(4-methoxyphenyl)-1-(4-methoxyphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588648
1-(4-fluorophenyl)sulfonyl-6-pyridin-3-yl-3,4-dihydro-2H-quinoline
CID 118714845
6,7-dimethyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
CID 56588655
1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-amine
CID 16642538
2-[[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]sulfonyl]benzoic acid
CID 175307011
1-(4-propylphenyl)sulfonyl-3,4-dihydro-2H-1,5-naphthyridine
CID 17435017
1-(4-fluorophenyl)sulfonyl-4-phenyltriazole
CID 51350838
4-[(6-fluoro-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzaldehyde
CID 155923743
1-(1,3-benzothiazol-2-yl)-2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]ethanone
CID 159261807
2-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 158824360
N-[1-(4-fluorophenyl)sulfonyl-3,4-dihydro-2H-quinolin-7-yl]-2-phenoxyacetamide
CID 18565135

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine (CID 56588669) is 1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine is O=S(=O)(c1ccc(F)cc1)N1CCCc2nc(-c3ccccc3)ccc21.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is NKLKIMQBBUIJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-16-8-10-17(11-9-16)26(24,25)23-14-4-7-19-20(23)13-12-18(22-19)15-5-2-1-3-6-15/h1-3,5-6,8-13H,4,7,14H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine?
1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 368.43 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-6-phenyl-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 56588669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).