2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide

C18H14N2O3S — CID 134342996

IUPAC2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccc(Oc3ccccn3)cc2CN1c1ccccc1
InChIInChI=1S/C18H14N2O3S/c21-24(22)17-10-9-16(23-18-8-4-5-11-19-18)12-14(17)13-20(24)15-6-2-1-3-7-15/h1-12H,13H2
InChIKeyMEYIAHDSPGALJO-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.58
Rot. Bonds3

About 2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide

2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide (PubChem CID 134342996) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide
PubChem CID134342996
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC Name2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)c2ccc(Oc3ccccn3)cc2CN1c1ccccc1
InChIInChI=1S/C18H14N2O3S/c21-24(22)17-10-9-16(23-18-8-4-5-11-19-18)12-14(17)13-20(24)15-6-2-1-3-7-15/h1-12H,13H2
InChIKeyMEYIAHDSPGALJO-UHFFFAOYSA-N
XLogP3.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
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-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide (CID 134342996) is 2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide is O=S1(=O)c2ccc(Oc3ccccn3)cc2CN1c1ccccc1.
What is the InChIKey of 2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
The InChIKey is MEYIAHDSPGALJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c21-24(22)17-10-9-16(23-18-8-4-5-11-19-18)12-14(17)13-20(24)15-6-2-1-3-7-15/h1-12H,13H2.
What are the key properties of 2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide?
2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide has a molecular weight of 338.39 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-pyridin-2-yloxy-3H-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 134342996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).