2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

C19H16N2O3S — CID 71885752

IUPAC2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2N=CN1CCOc1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O3S/c22-25(23)19-8-4-3-7-18(19)20-14-21(25)11-12-24-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14H,11-12H2
InChIKeyGLWHICNOJVWLIP-UHFFFAOYSA-N
MW352.42 g/mol
LogP3.58
Rot. Bonds4

About 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide

2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 71885752) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

Compound Name2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
PubChem CID71885752
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
SMILESO=S1(=O)c2ccccc2N=CN1CCOc1ccc2ccccc2c1
InChIInChI=1S/C19H16N2O3S/c22-25(23)19-8-4-3-7-18(19)20-14-21(25)11-12-24-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14H,11-12H2
InChIKeyGLWHICNOJVWLIP-UHFFFAOYSA-N
XLogP3.58
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The IUPAC name of 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 71885752) is 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide.
What is the SMILES notation for 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The canonical SMILES for 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is O=S1(=O)c2ccccc2N=CN1CCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
The InChIKey is GLWHICNOJVWLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3S/c22-25(23)19-8-4-3-7-18(19)20-14-21(25)11-12-24-17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13-14H,11-12H2.
What are the key properties of 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide?
2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 352.42 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yloxyethyl)-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 71885752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).