2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine

C14H13F3N2O3S — CID 68845215

IUPAC2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine
SMILESCc1cc(S(=O)(=O)N2CCc3cnccc3C2)c(C(F)(F)F)o1
InChIInChI=1S/C14H13F3N2O3S/c1-9-6-12(13(22-9)14(15,16)17)23(20,21)19-5-3-10-7-18-4-2-11(10)8-19/h2,4,6-7H,3,5,8H2,1H3
InChIKeyPBBFJFNYGDCNNE-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.75
Rot. Bonds2

About 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine

2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 68845215) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID68845215
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC Name2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine
SMILESCc1cc(S(=O)(=O)N2CCc3cnccc3C2)c(C(F)(F)F)o1
InChIInChI=1S/C14H13F3N2O3S/c1-9-6-12(13(22-9)14(15,16)17)23(20,21)19-5-3-10-7-18-4-2-11(10)8-19/h2,4,6-7H,3,5,8H2,1H3
InChIKeyPBBFJFNYGDCNNE-UHFFFAOYSA-N
XLogP2.75
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine (CID 68845215) is 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine is Cc1cc(S(=O)(=O)N2CCc3cnccc3C2)c(C(F)(F)F)o1.
What is the InChIKey of 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is PBBFJFNYGDCNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c1-9-6-12(13(22-9)14(15,16)17)23(20,21)19-5-3-10-7-18-4-2-11(10)8-19/h2,4,6-7H,3,5,8H2,1H3.
What are the key properties of 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine?
2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 346.33 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 68845215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).