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

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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).