2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide

C18H13FN2O3S — CID 46892131

IUPAC2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccccc2CN1c1cc(F)cc(Oc2cccnc2)c1
InChIInChI=1S/C18H13FN2O3S/c19-14-8-15(10-17(9-14)24-16-5-3-7-20-11-16)21-12-13-4-1-2-6-18(13)25(21,22)23/h1-11H,12H2
InChIKeyGTUWFJSMHUOHTQ-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.72
Rot. Bonds3

About 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide

2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 46892131) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
PubChem CID46892131
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC Name2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccccc2CN1c1cc(F)cc(Oc2cccnc2)c1
InChIInChI=1S/C18H13FN2O3S/c19-14-8-15(10-17(9-14)24-16-5-3-7-20-11-16)21-12-13-4-1-2-6-18(13)25(21,22)23/h1-11H,12H2
InChIKeyGTUWFJSMHUOHTQ-UHFFFAOYSA-N
XLogP3.72
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide (CID 46892131) is 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide is O=S1(=O)c2ccccc2CN1c1cc(F)cc(Oc2cccnc2)c1.
What is the InChIKey of 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is GTUWFJSMHUOHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c19-14-8-15(10-17(9-14)24-16-5-3-7-20-11-16)21-12-13-4-1-2-6-18(13)25(21,22)23/h1-11H,12H2.
What are the key properties of 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide?
2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 356.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-pyridin-3-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 46892131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).