2-amino-6-fluorosulfonyloxy-1,3-benzothiazole

C7H5FN2O3S2 — CID 118566745

IUPAC2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
SMILESNc1nc2ccc(OS(=O)(=O)F)cc2s1
InChIInChI=1S/C7H5FN2O3S2/c8-15(11,12)13-4-1-2-5-6(3-4)14-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyBMDOCXWAKMTZFO-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.47
Rot. Bonds2

About 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole

2-amino-6-fluorosulfonyloxy-1,3-benzothiazole (PubChem CID 118566745) has the molecular formula C7H5FN2O3S2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole.

Molecular Properties

Compound Name2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
PubChem CID118566745
Molecular FormulaC7H5FN2O3S2
Molecular Weight248.26 g/mol
Exact Mass247.97
IUPAC Name2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
SMILESNc1nc2ccc(OS(=O)(=O)F)cc2s1
InChIInChI=1S/C7H5FN2O3S2/c8-15(11,12)13-4-1-2-5-6(3-4)14-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyBMDOCXWAKMTZFO-UHFFFAOYSA-N
XLogP1.47
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-1,3-benzothiazole-6-sulfonyl fluoride
CID 130156167
(2-amino-1,3-benzothiazol-6-yl) 2,4,6-trichlorobenzenesulfonate
CID 87123551
CID 158604119
CID 158604119
6-(trifluoromethoxy)-1,3-benzothiazol-2-amine;hydrochloride
CID 6419992
6-(2-fluoroethoxy)-1,3-benzothiazol-2-amine
CID 59282924
6-(1,1-difluoroethoxy)-1,3-benzothiazol-2-amine
CID 89211366
6-(3,5-dichlorophenoxy)-1,3-benzothiazol-2-amine
CID 139337544
6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
CID 53433226
6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 17244955
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
[3-(dimethylamino)phenyl] 2-amino-1,3-benzothiazole-6-sulfonate
CID 21455596
6-naphthalen-1-yloxy-1,3-benzothiazol-2-amine
CID 91679953

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole?
The IUPAC name of 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole (CID 118566745) is 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole.
What is the SMILES notation for 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole?
The canonical SMILES for 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole is Nc1nc2ccc(OS(=O)(=O)F)cc2s1.
What is the InChIKey of 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole?
The InChIKey is BMDOCXWAKMTZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O3S2/c8-15(11,12)13-4-1-2-5-6(3-4)14-7(9)10-5/h1-3H,(H2,9,10).
What are the key properties of 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole?
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole has a molecular weight of 248.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluorosulfonyloxy-1,3-benzothiazole is sourced from PubChem (CID 118566745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).