1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine

C21H20N2O3S — CID 56588666

IUPAC1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-26-17-11-9-16(10-12-17)19-13-14-21-20(22-19)8-5-15-23(21)27(24,25)18-6-3-2-4-7-18/h2-4,6-7,9-14H,5,8,15H2,1H3
InChIKeyWFGQKMLDNYCGSL-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.90
Rot. Bonds4

About 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine

1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine (PubChem CID 56588666) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
PubChem CID56588666
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine
SMILESCOc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H20N2O3S/c1-26-17-11-9-16(10-12-17)19-13-14-21-20(22-19)8-5-15-23(21)27(24,25)18-6-3-2-4-7-18/h2-4,6-7,9-14H,5,8,15H2,1H3
InChIKeyWFGQKMLDNYCGSL-UHFFFAOYSA-N
XLogP3.90
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine?
The IUPAC name of 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine (CID 56588666) is 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine?
The canonical SMILES for 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine is COc1ccc(-c2ccc3c(n2)CCCN3S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine?
The InChIKey is WFGQKMLDNYCGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-26-17-11-9-16(10-12-17)19-13-14-21-20(22-19)8-5-15-23(21)27(24,25)18-6-3-2-4-7-18/h2-4,6-7,9-14H,5,8,15H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine?
1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine has a molecular weight of 380.47 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-6-(4-methoxyphenyl)-3,4-dihydro-2H-1,5-naphthyridine is sourced from PubChem (CID 56588666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).