3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide

C17H11NO3S — CID 790225

IUPAC3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C17H11NO3S/c19-22(20)16-11-4-3-9-14(16)17(18-22)21-15-10-5-7-12-6-1-2-8-13(12)15/h1-11H
InChIKeyPVYYHPVCCGWYIM-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.37
Rot. Bonds1

About 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide

3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide (PubChem CID 790225) has the molecular formula C17H11NO3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide
PubChem CID790225
Molecular FormulaC17H11NO3S
Molecular Weight309.35 g/mol
Exact Mass309.05
IUPAC Name3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C17H11NO3S/c19-22(20)16-11-4-3-9-14(16)17(18-22)21-15-10-5-7-12-6-1-2-8-13(12)15/h1-11H
InChIKeyPVYYHPVCCGWYIM-UHFFFAOYSA-N
XLogP3.37
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide with MolForge

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

Launch Full Analysis

Related Compounds

3-Phenoxy-1,2-benzothiazole 1,1-dioxide
CID 686407
3-(4-Ethylphenoxy)-1,2-benzisothiazole 1,1-dioxide
CID 689653
3-(2,5-Dimethylphenoxy)-1,2-benzothiazole 1,1-dioxide
CID 706526
3-(2-Methylphenoxy)-1,2-benzothiazole 1,1-dioxide
CID 790224
3-(Naphthalen-2-yloxy)-benzo[b]thiophene 1,1-dioxide
CID 950756
3-(Naphthalen-2-yloxy)-1,2-benzothiazole 1,1-dioxide
CID 790223
3-(Biphenyl-2-yloxy)-1,2-benzothiazole 1,1-dioxide
CID 892507
3-(Biphenyl-4-yloxy)-1,2-benzothiazole 1,1-dioxide
CID 2883824
3-[(1,1-Dioxo-1,2-benzothiazol-3-yl)oxy]benzonitrile
CID 14765026
3-[3-(Trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide
CID 14765032
3-(3-Methylphenoxy)-1,2-benzothiazole 1,1-dioxide
CID 44623902
3-[2-(Trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide
CID 44623917

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide (CID 790225) is 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(Oc2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide?
The InChIKey is PVYYHPVCCGWYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO3S/c19-22(20)16-11-4-3-9-14(16)17(18-22)21-15-10-5-7-12-6-1-2-8-13(12)15/h1-11H.
What are the key properties of 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide?
3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide has a molecular weight of 309.35 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-yloxy-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 790225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).