6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

C18H16N2O3S — CID 71801574

IUPAC6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)CCN(S(=O)(=O)c1ccc3ccccc3c1)C2
InChIInChI=1S/C18H16N2O3S/c21-18-8-6-15-12-20(10-9-17(15)19-18)24(22,23)16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11H,9-10,12H2,(H,19,21)
InChIKeyXWWZUTOXFRHXOZ-UHFFFAOYSA-N
MW340.40 g/mol
LogP2.28
Rot. Bonds2

About 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one

6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (PubChem CID 71801574) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
PubChem CID71801574
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one
SMILESO=c1ccc2c([nH]1)CCN(S(=O)(=O)c1ccc3ccccc3c1)C2
InChIInChI=1S/C18H16N2O3S/c21-18-8-6-15-12-20(10-9-17(15)19-18)24(22,23)16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11H,9-10,12H2,(H,19,21)
InChIKeyXWWZUTOXFRHXOZ-UHFFFAOYSA-N
XLogP2.28
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one 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 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The IUPAC name of 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one (CID 71801574) is 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one.
What is the SMILES notation for 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The canonical SMILES for 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is O=c1ccc2c([nH]1)CCN(S(=O)(=O)c1ccc3ccccc3c1)C2.
What is the InChIKey of 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
The InChIKey is XWWZUTOXFRHXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c21-18-8-6-15-12-20(10-9-17(15)19-18)24(22,23)16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11H,9-10,12H2,(H,19,21).
What are the key properties of 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one?
6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one has a molecular weight of 340.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylsulfonyl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one is sourced from PubChem (CID 71801574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).