6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine

C18H15FN2O2S2 — CID 56588634

IUPAC6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESO=S(=O)(c1cccs1)N1CCCc2nc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H15FN2O2S2/c19-14-7-5-13(6-8-14)15-9-10-17-16(20-15)3-1-11-21(17)25(22,23)18-4-2-12-24-18/h2,4-10,12H,1,3,11H2
InChIKeyPXDFDQIBGWKUAX-UHFFFAOYSA-N
MW374.46 g/mol
LogP4.09
Rot. Bonds3

About 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine

6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 56588634) has the molecular formula C18H15FN2O2S2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID56588634
Molecular FormulaC18H15FN2O2S2
Molecular Weight374.46 g/mol
Exact Mass374.06
IUPAC Name6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine
SMILESO=S(=O)(c1cccs1)N1CCCc2nc(-c3ccc(F)cc3)ccc21
InChIInChI=1S/C18H15FN2O2S2/c19-14-7-5-13(6-8-14)15-9-10-17-16(20-15)3-1-11-21(17)25(22,23)18-4-2-12-24-18/h2,4-10,12H,1,3,11H2
InChIKeyPXDFDQIBGWKUAX-UHFFFAOYSA-N
XLogP4.09
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine (CID 56588634) is 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine is O=S(=O)(c1cccs1)N1CCCc2nc(-c3ccc(F)cc3)ccc21.
What is the InChIKey of 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is PXDFDQIBGWKUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2S2/c19-14-7-5-13(6-8-14)15-9-10-17-16(20-15)3-1-11-21(17)25(22,23)18-4-2-12-24-18/h2,4-10,12H,1,3,11H2.
What are the key properties of 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine?
6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 374.46 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-thiophen-2-ylsulfonyl-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 56588634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).