3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide

C13H8FNO3S — CID 44623894

IUPAC3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2ccccc2F)c2ccccc21
InChIInChI=1S/C13H8FNO3S/c14-10-6-2-3-7-11(10)18-13-9-5-1-4-8-12(9)19(16,17)15-13/h1-8H
InChIKeyWIHVCFIKRXWXCA-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.35
Rot. Bonds1

About 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide

3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide (PubChem CID 44623894) has the molecular formula C13H8FNO3S and a molecular weight of 277.28 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide
PubChem CID44623894
Molecular FormulaC13H8FNO3S
Molecular Weight277.28 g/mol
Exact Mass277.02
IUPAC Name3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2ccccc2F)c2ccccc21
InChIInChI=1S/C13H8FNO3S/c14-10-6-2-3-7-11(10)18-13-9-5-1-4-8-12(9)19(16,17)15-13/h1-8H
InChIKeyWIHVCFIKRXWXCA-UHFFFAOYSA-N
XLogP2.35
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide (CID 44623894) is 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(Oc2ccccc2F)c2ccccc21.
What is the InChIKey of 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is WIHVCFIKRXWXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO3S/c14-10-6-2-3-7-11(10)18-13-9-5-1-4-8-12(9)19(16,17)15-13/h1-8H.
What are the key properties of 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide?
3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 277.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenoxy)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 44623894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).