1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one

C7H5FN2O2S — CID 155432049

IUPAC1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one
SMILESNS1(=O)=NC(=O)c2ccc(F)cc21
InChIInChI=1S/C7H5FN2O2S/c8-4-1-2-5-6(3-4)13(9,12)10-7(5)11/h1-3H,(H2,9,10,11,12)
InChIKeyPKPNAQUWXFPGAG-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.68
Rot. Bonds

About 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one

1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one (PubChem CID 155432049) has the molecular formula C7H5FN2O2S and a molecular weight of 200.19 g/mol. Its IUPAC name is 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one
PubChem CID155432049
Molecular FormulaC7H5FN2O2S
Molecular Weight200.19 g/mol
Exact Mass200.01
IUPAC Name1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one
SMILESNS1(=O)=NC(=O)c2ccc(F)cc21
InChIInChI=1S/C7H5FN2O2S/c8-4-1-2-5-6(3-4)13(9,12)10-7(5)11/h1-3H,(H2,9,10,11,12)
InChIKeyPKPNAQUWXFPGAG-UHFFFAOYSA-N
XLogP0.68
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Saccharin
CID 5143
1,2-Benzisothiazol-3(2H)-one
CID 17520
Sodium saccharin
CID 656582
Sodium saccharin dihydrate
CID 517320
6-Fluoro-1,2-benzothiazol-3(2H)-one
CID 480272
4-(Aminosulfonyl)benzamide
CID 80563
1,2-Benzisothiazol-3(2H)-one, 1,1-dioxide, sodium salt, hydrate
CID 443755
CID 66584623
CID 66584623
2-(Hydrazinecarbonyl)benzenesulfonamide
CID 2490720
6-Sulfamoylsaccharin
CID 57407714
Saccharin Potassium
CID 12193862
2-Sulfanylbenzamide
CID 350657

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one?
The IUPAC name of 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one (CID 155432049) is 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one?
The canonical SMILES for 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one is NS1(=O)=NC(=O)c2ccc(F)cc21.
What is the InChIKey of 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one?
The InChIKey is PKPNAQUWXFPGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2S/c8-4-1-2-5-6(3-4)13(9,12)10-7(5)11/h1-3H,(H2,9,10,11,12).
What are the key properties of 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one?
1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one has a molecular weight of 200.19 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-fluoro-1-oxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 155432049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).