3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide

C14H8F3NO3S — CID 14765032

IUPAC3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C14H8F3NO3S/c15-14(16,17)9-4-3-5-10(8-9)21-13-11-6-1-2-7-12(11)22(19,20)18-13/h1-8H
InChIKeyNQUYSFWQGLHWFE-UHFFFAOYSA-N
MW327.28 g/mol
LogP3.23
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide

3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide (PubChem CID 14765032) has the molecular formula C14H8F3NO3S and a molecular weight of 327.28 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide
PubChem CID14765032
Molecular FormulaC14H8F3NO3S
Molecular Weight327.28 g/mol
Exact Mass327.02
IUPAC Name3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide
SMILESO=S1(=O)N=C(Oc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C14H8F3NO3S/c15-14(16,17)9-4-3-5-10(8-9)21-13-11-6-1-2-7-12(11)22(19,20)18-13/h1-8H
InChIKeyNQUYSFWQGLHWFE-UHFFFAOYSA-N
XLogP3.23
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3,5-bis(trifluoromethyl)phenyl]-1,2-benzothiazole 1,1-dioxide
CID 56946145
4-[3-(trifluoromethyl)phenoxy]-1,2-thiazole 1,1-dioxide
CID 117233743
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
3-[3-(trifluoromethyl)phenyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
CID 66485124
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
3,5-difluoro-4-methyl-2-phenoxy-6-[3-(trifluoromethyl)phenoxy]pyridine
CID 57090864
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
1-prop-1-en-2-yloxy-3-(trifluoromethyl)benzene
CID 67930269
4-[3-(trifluoromethyl)phenoxy]aniline
CID 2760750
5-[3-(trifluoromethyl)phenoxy]benzene-1,3-diamine
CID 126478251

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide (CID 14765032) is 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide is O=S1(=O)N=C(Oc2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide?
The InChIKey is NQUYSFWQGLHWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO3S/c15-14(16,17)9-4-3-5-10(8-9)21-13-11-6-1-2-7-12(11)22(19,20)18-13/h1-8H.
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide?
3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide has a molecular weight of 327.28 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]-1,2-benzothiazole 1,1-dioxide is sourced from PubChem (CID 14765032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).