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

C19H13NO3S — CID 2883824

IUPAC3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C19H13NO3S/c21-24(22)18-9-5-4-8-17(18)19(20-24)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyWAWHLAQDJRQRRD-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.88
Rot. Bonds2

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

3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide (PubChem CID 2883824) has the molecular formula C19H13NO3S and a molecular weight of 335.38 g/mol. Its IUPAC name is 3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide
PubChem CID2883824
Molecular FormulaC19H13NO3S
Molecular Weight335.38 g/mol
Exact Mass335.06
IUPAC Name3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2ccc(-c3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C19H13NO3S/c21-24(22)18-9-5-4-8-17(18)19(20-24)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
InChIKeyWAWHLAQDJRQRRD-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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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
1,2-Benzisothiazole, 3-(1-naphthalenyloxy)-, 1,1-dioxide
CID 790225
1,2-Benzisothiazole, 3-(4-methoxyphenoxy)-, 1,1-dioxide
CID 14765027
3-[3,5-Bis(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide
CID 164625291
4-methoxyphenyl N-(phenylsulfonyl)benzenecarboximidoate
CID 5508183
3-(Naphthalen-2-yloxy)-1,2-benzothiazole 1,1-dioxide
CID 790223
3-(Biphenyl-2-yloxy)-1,2-benzothiazole 1,1-dioxide
CID 892507

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide (CID 2883824) is 3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(Oc2ccc(-c3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide?
The InChIKey is WAWHLAQDJRQRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3S/c21-24(22)18-9-5-4-8-17(18)19(20-24)23-16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 3-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide?
3-(4-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-(4-phenylphenoxy)-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 2883824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).