3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide

C14H11NO4S — CID 14765027

IUPAC3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESCOc1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C14H11NO4S/c1-18-10-6-8-11(9-7-10)19-14-12-4-2-3-5-13(12)20(16,17)15-14/h2-9H,1H3
InChIKeyQRVBBFWCGJKKCV-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.22
Rot. Bonds2

About 3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide

3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide (PubChem CID 14765027) has the molecular formula C14H11NO4S and a molecular weight of 289.31 g/mol. Its IUPAC name is 3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide
PubChem CID14765027
Molecular FormulaC14H11NO4S
Molecular Weight289.31 g/mol
Exact Mass289.04
IUPAC Name3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESCOc1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C14H11NO4S/c1-18-10-6-8-11(9-7-10)19-14-12-4-2-3-5-13(12)20(16,17)15-14/h2-9H,1H3
InChIKeyQRVBBFWCGJKKCV-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
3-(2-Methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide
CID 652675
3-[3,5-Bis(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide
CID 164625291
4-methoxyphenyl N-(phenylsulfonyl)benzenecarboximidoate
CID 5508183
3-(4-Bromophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 43083206
3-(4-Chlorophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 794423
3-(3-Bromophenoxy)-1,2-benzothiazole 1,1-dioxide
CID 43083207
N-(2-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 10924221

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide (CID 14765027) is 3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide is COc1ccc(OC2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of 3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is QRVBBFWCGJKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4S/c1-18-10-6-8-11(9-7-10)19-14-12-4-2-3-5-13(12)20(16,17)15-14/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide?
3-(4-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-(4-methoxyphenoxy)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 14765027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).