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

C14H11NO4S — CID 652675

IUPAC3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESCOc1ccccc1OC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H11NO4S/c1-18-11-7-3-4-8-12(11)19-14-10-6-2-5-9-13(10)20(16,17)15-14/h2-9H,1H3
InChIKeyAQLFQBUDWSEGJI-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.22
Rot. Bonds2

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

3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide (PubChem CID 652675) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide
PubChem CID652675
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESCOc1ccccc1OC1=NS(=O)(=O)c2ccccc21
InChIInChI=1S/C14H11NO4S/c1-18-11-7-3-4-8-12(11)19-14-10-6-2-5-9-13(10)20(16,17)15-14/h2-9H,1H3
InChIKeyAQLFQBUDWSEGJI-UHFFFAOYSA-N
XLogP2.22
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Phenoxy-1,2-benzothiazole 1,1-dioxide
CID 686407
3-(4-Ethylphenoxy)-1,2-benzisothiazole 1,1-dioxide
CID 689653
3-p-Tolyloxy-benzo[d]isothiazole 1,1-dioxide
CID 747902
3-(2,5-Dimethylphenoxy)-1,2-benzothiazole 1,1-dioxide
CID 706526
3-(2-Methylphenoxy)-1,2-benzothiazole 1,1-dioxide
CID 790224
1,2-Benzisothiazole, 3-(4-methoxyphenoxy)-, 1,1-dioxide
CID 14765027
4-methoxyphenyl N-(phenylsulfonyl)benzenecarboximidoate
CID 5508183
[(E)-(3,4-dimethoxyphenyl)methyleneamino](oxo)(phenyl)-lambda-sulfaniumolate
CID 681538
N-(3,4-dimethoxybenzylidene)benzenesulfonamide
CID 9586651
3-(Biphenyl-2-yloxy)-1,2-benzothiazole 1,1-dioxide
CID 892507
3-(Biphenyl-4-yloxy)-1,2-benzothiazole 1,1-dioxide
CID 2883824
3-[(1,1-Dioxo-1,2-benzothiazol-3-yl)oxy]benzonitrile
CID 14765026

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide (CID 652675) is 3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide is COc1ccccc1OC1=NS(=O)(=O)c2ccccc21.
What is the InChIKey of 3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is AQLFQBUDWSEGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c1-18-11-7-3-4-8-12(11)19-14-10-6-2-5-9-13(10)20(16,17)15-14/h2-9H,1H3.
What are the key properties of 3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide?
3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide has a molecular weight of 289.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 652675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).