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

C16H15NO3S — CID 888556

IUPAC3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESCCCc1ccccc1OC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C16H15NO3S/c1-2-7-12-8-3-5-10-14(12)20-16-13-9-4-6-11-15(13)21(18,19)17-16/h3-6,8-11H,2,7H2,1H3
InChIKeySBSBYWAXXPCVRP-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.17
Rot. Bonds3

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

3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide (PubChem CID 888556) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide
PubChem CID888556
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESCCCc1ccccc1OC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C16H15NO3S/c1-2-7-12-8-3-5-10-14(12)20-16-13-9-4-6-11-15(13)21(18,19)17-16/h3-6,8-11H,2,7H2,1H3
InChIKeySBSBYWAXXPCVRP-UHFFFAOYSA-N
XLogP3.17
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide (CID 888556) is 3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide is CCCc1ccccc1OC1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is SBSBYWAXXPCVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-2-7-12-8-3-5-10-14(12)20-16-13-9-4-6-11-15(13)21(18,19)17-16/h3-6,8-11H,2,7H2,1H3.
What are the key properties of 3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide?
3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 301.37 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylphenoxy)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 888556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).