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

C19H13NO3S — CID 892507

IUPAC3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2ccccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H13NO3S/c21-24(22)18-13-7-5-11-16(18)19(20-24)23-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13H
InChIKeyMWVLCSOHYAIETP-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.88
Rot. Bonds2

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

3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide (PubChem CID 892507) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide
PubChem CID892507
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2ccccc2-c2ccccc2)c2ccccc21
InChIInChI=1S/C19H13NO3S/c21-24(22)18-13-7-5-11-16(18)19(20-24)23-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13H
InChIKeyMWVLCSOHYAIETP-UHFFFAOYSA-N
XLogP3.88
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide (CID 892507) is 3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(Oc2ccccc2-c2ccccc2)c2ccccc21.
What is the InChIKey of 3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is MWVLCSOHYAIETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3S/c21-24(22)18-13-7-5-11-16(18)19(20-24)23-17-12-6-4-10-15(17)14-8-2-1-3-9-14/h1-13H.
What are the key properties of 3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide?
3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 335.38 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 892507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).