1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol

C14H10F3NO3S — CID 11142063

IUPAC1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol
SMILESO=S1(=O)c2ccccc2C(O)(C(F)(F)F)N1c1ccccc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)13(19)11-8-4-5-9-12(11)22(20,21)18(13)10-6-2-1-3-7-10/h1-9,19H
InChIKeyLHBQSTYFOSVJJN-UHFFFAOYSA-N
MW329.30 g/mol
LogP2.60
Rot. Bonds1

About 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol

1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol (PubChem CID 11142063) has the molecular formula C14H10F3NO3S and a molecular weight of 329.30 g/mol. Its IUPAC name is 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol.

Molecular Properties

Compound Name1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol
PubChem CID11142063
Molecular FormulaC14H10F3NO3S
Molecular Weight329.30 g/mol
Exact Mass329.03
IUPAC Name1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol
SMILESO=S1(=O)c2ccccc2C(O)(C(F)(F)F)N1c1ccccc1
InChIInChI=1S/C14H10F3NO3S/c15-14(16,17)13(19)11-8-4-5-9-12(11)22(20,21)18(13)10-6-2-1-3-7-10/h1-9,19H
InChIKeyLHBQSTYFOSVJJN-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-N-methylbenzenesulfonamide
CID 20704166
4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N-methyl-N-phenylbenzenesulfonamide
CID 20704189
N,2-dimethyl-N-[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]benzenesulfonamide
CID 117609524
1,1,1,3,3,3-Hexafluoro-2-(1-(phenylsulfonyl)indolin-5-yl)propan-2-ol
CID 44409326
2-methyl-N-propan-2-yl-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 70683819
N-ethyl-N-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 72724689
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(trifluoromethyl)benzenesulfonamide
CID 168286972
7-fluoro-5-methyl-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol
CID 59613822
5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol
CID 59613872
N-(4-fluorophenyl)-2-hydroxymethyl-N-methylbenzenesulfonamide
CID 67044881
1,1-dioxo-2-phenyl-6-(trifluoromethyl)-3H-1,2-benzothiazol-3-ol
CID 68778781
1,1-dioxo-2-phenyl-7-(trifluoromethyl)-3H-1,2-benzothiazol-3-ol
CID 68779489

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol?
The IUPAC name of 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol (CID 11142063) is 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol.
What is the SMILES notation for 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol?
The canonical SMILES for 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol is O=S1(=O)c2ccccc2C(O)(C(F)(F)F)N1c1ccccc1.
What is the InChIKey of 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol?
The InChIKey is LHBQSTYFOSVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3S/c15-14(16,17)13(19)11-8-4-5-9-12(11)22(20,21)18(13)10-6-2-1-3-7-10/h1-9,19H.
What are the key properties of 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol?
1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol has a molecular weight of 329.30 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-2-phenyl-3-(trifluoromethyl)-1,2-benzothiazol-3-ol is sourced from PubChem (CID 11142063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).