5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol

C13H10FNO3S — CID 59613872

IUPAC5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol
SMILESO=S1(=O)c2ccc(F)cc2C(O)N1c1ccccc1
InChIInChI=1S/C13H10FNO3S/c14-9-6-7-12-11(8-9)13(16)15(19(12,17)18)10-4-2-1-3-5-10/h1-8,13,16H
InChIKeyGXUPEKADRWVNML-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.03
Rot. Bonds1

About 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol

5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol (PubChem CID 59613872) has the molecular formula C13H10FNO3S and a molecular weight of 279.29 g/mol. Its IUPAC name is 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol.

Molecular Properties

Compound Name5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol
PubChem CID59613872
Molecular FormulaC13H10FNO3S
Molecular Weight279.29 g/mol
Exact Mass279.04
IUPAC Name5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol
SMILESO=S1(=O)c2ccc(F)cc2C(O)N1c1ccccc1
InChIInChI=1S/C13H10FNO3S/c14-9-6-7-12-11(8-9)13(16)15(19(12,17)18)10-4-2-1-3-5-10/h1-8,13,16H
InChIKeyGXUPEKADRWVNML-UHFFFAOYSA-N
XLogP2.03
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol?
The IUPAC name of 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol (CID 59613872) is 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol.
What is the SMILES notation for 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol?
The canonical SMILES for 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol is O=S1(=O)c2ccc(F)cc2C(O)N1c1ccccc1.
What is the InChIKey of 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol?
The InChIKey is GXUPEKADRWVNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3S/c14-9-6-7-12-11(8-9)13(16)15(19(12,17)18)10-4-2-1-3-5-10/h1-8,13,16H.
What are the key properties of 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol?
5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol has a molecular weight of 279.29 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,1-dioxo-2-phenyl-3H-1,2-benzothiazol-3-ol is sourced from PubChem (CID 59613872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).