2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

C17H20N2O3S — CID 97463718

IUPAC2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCOCc1cncc2c1CCN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C17H20N2O3S/c1-2-22-13-15-11-18-10-14-12-19(9-8-17(14)15)23(20,21)16-6-4-3-5-7-16/h3-7,10-11H,2,8-9,12-13H2,1H3
InChIKeyWSHBLOOIYHBVDL-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.37
Rot. Bonds5

About 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine

2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 97463718) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID97463718
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCCOCc1cncc2c1CCN(S(=O)(=O)c1ccccc1)C2
InChIInChI=1S/C17H20N2O3S/c1-2-22-13-15-11-18-10-14-12-19(9-8-17(14)15)23(20,21)16-6-4-3-5-7-16/h3-7,10-11H,2,8-9,12-13H2,1H3
InChIKeyWSHBLOOIYHBVDL-UHFFFAOYSA-N
XLogP2.37
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine (CID 97463718) is 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is CCOCc1cncc2c1CCN(S(=O)(=O)c1ccccc1)C2.
What is the InChIKey of 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is WSHBLOOIYHBVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-2-22-13-15-11-18-10-14-12-19(9-8-17(14)15)23(20,21)16-6-4-3-5-7-16/h3-7,10-11H,2,8-9,12-13H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine?
2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 332.43 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-5-(ethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 97463718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).