6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine

C14H13FN2O2S — CID 61045177

IUPAC6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2ncccc2C1
InChIInChI=1S/C14H13FN2O2S/c15-12-3-5-13(6-4-12)20(18,19)17-9-7-14-11(10-17)2-1-8-16-14/h1-6,8H,7,9-10H2
InChIKeyLMZMYVHQWYYBEL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.97
Rot. Bonds2

About 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine

6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 61045177) has the molecular formula C14H13FN2O2S and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID61045177
Molecular FormulaC14H13FN2O2S
Molecular Weight292.34 g/mol
Exact Mass292.07
IUPAC Name6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
SMILESO=S(=O)(c1ccc(F)cc1)N1CCc2ncccc2C1
InChIInChI=1S/C14H13FN2O2S/c15-12-3-5-13(6-4-12)20(18,19)17-9-7-14-11(10-17)2-1-8-16-14/h1-6,8H,7,9-10H2
InChIKeyLMZMYVHQWYYBEL-UHFFFAOYSA-N
XLogP1.97
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 61017681
4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide
CID 121191276
6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191252
6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191240
7-[4-(piperazin-1-ylmethyl)phenyl]sulfonyl-6,8-dihydro-5H-1,7-naphthyridine
CID 59826295
6-(5-bromo-2-methylphenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61215839
1-[4-(6,8-dihydro-5H-1,7-naphthyridin-7-ylsulfonyl)phenyl]-N-(pyridin-2-ylmethyl)methanamine
CID 59826214
(2R,6R)-8-(4-fluorophenyl)sulfonyl-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene
CID 67167715
5-(7,8-dihydro-5H-1,6-naphthyridin-6-ylsulfonyl)thiophene-3-carboxylic acid
CID 60861409
6-(4-fluorophenyl)sulfonyl-2-phenyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42787030
4-[6-(4-fluorophenyl)sulfonyl-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]morpholine
CID 42787909
[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2571794

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine (CID 61045177) is 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine is O=S(=O)(c1ccc(F)cc1)N1CCc2ncccc2C1.
What is the InChIKey of 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is LMZMYVHQWYYBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-12-3-5-13(6-4-12)20(18,19)17-9-7-14-11(10-17)2-1-8-16-14/h1-6,8H,7,9-10H2.
What are the key properties of 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine?
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 292.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 61045177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).