5-fluoro-1,3-benzothiazole-2-sulfonamide

C7H5FN2O2S2 — CID 178107830

IUPAC5-fluoro-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2cc(F)ccc2s1
InChIInChI=1S/C7H5FN2O2S2/c8-4-1-2-6-5(3-4)10-7(13-6)14(9,11)12/h1-3H,(H2,9,11,12)
InChIKeyLZNKKOCFXVIUIE-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.08
Rot. Bonds1

About 5-fluoro-1,3-benzothiazole-2-sulfonamide

5-fluoro-1,3-benzothiazole-2-sulfonamide (PubChem CID 178107830) has the molecular formula C7H5FN2O2S2 and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-fluoro-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound Name5-fluoro-1,3-benzothiazole-2-sulfonamide
PubChem CID178107830
Molecular FormulaC7H5FN2O2S2
Molecular Weight232.26 g/mol
Exact Mass231.98
IUPAC Name5-fluoro-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2cc(F)ccc2s1
InChIInChI=1S/C7H5FN2O2S2/c8-4-1-2-6-5(3-4)10-7(13-6)14(9,11)12/h1-3H,(H2,9,11,12)
InChIKeyLZNKKOCFXVIUIE-UHFFFAOYSA-N
XLogP1.08
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1,3-benzothiazole-2-sulfonamide
CID 71551260
2-chloro-5-fluoro-1,3-benzothiazole;sulfuryl dichloride
CID 162161137
2,2-dimethyl-N-(2-sulfamoyl-1,3-benzothiazol-5-yl)propanethioamide
CID 88725682
1-(2-sulfamoyl-1,3-benzothiazol-5-yl)cyclohexane-1-carboxylic acid
CID 70470525
(2-sulfamoyl-1,3-benzothiazol-5-yl) 4-methylbenzoate
CID 54155936
(2-sulfamoyl-1,3-benzothiazol-5-yl) 2-phenylacetate
CID 54487226
(2-sulfamoyl-1,3-benzothiazol-5-yl) (E)-3-phenylprop-2-enoate
CID 70231665
3-fluoro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline
CID 107795244
3-(5-fluoro-1,3-benzothiazol-2-yl)propan-1-amine
CID 43305639
(2-sulfamoyl-1,3-benzothiazol-6-yl) acetate
CID 13236662
5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 167944643
5-fluoro-1-benzothiophene-2-sulfonyl fluoride
CID 165452836

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of 5-fluoro-1,3-benzothiazole-2-sulfonamide (CID 178107830) is 5-fluoro-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for 5-fluoro-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for 5-fluoro-1,3-benzothiazole-2-sulfonamide is NS(=O)(=O)c1nc2cc(F)ccc2s1.
What is the InChIKey of 5-fluoro-1,3-benzothiazole-2-sulfonamide?
The InChIKey is LZNKKOCFXVIUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2S2/c8-4-1-2-6-5(3-4)10-7(13-6)14(9,11)12/h1-3H,(H2,9,11,12).
What are the key properties of 5-fluoro-1,3-benzothiazole-2-sulfonamide?
5-fluoro-1,3-benzothiazole-2-sulfonamide has a molecular weight of 232.26 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 178107830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).