2-amino-1,3-benzothiazole-6-sulfonyl fluoride

C7H5FN2O2S2 — CID 130156167

IUPAC2-amino-1,3-benzothiazole-6-sulfonyl fluoride
SMILESNc1nc2ccc(S(=O)(=O)F)cc2s1
InChIInChI=1S/C7H5FN2O2S2/c8-14(11,12)4-1-2-5-6(3-4)13-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyMZYRTMMXMPIVQJ-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.54
Rot. Bonds1

About 2-amino-1,3-benzothiazole-6-sulfonyl fluoride

2-amino-1,3-benzothiazole-6-sulfonyl fluoride (PubChem CID 130156167) has the molecular formula C7H5FN2O2S2 and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-amino-1,3-benzothiazole-6-sulfonyl fluoride.

Molecular Properties

Compound Name2-amino-1,3-benzothiazole-6-sulfonyl fluoride
PubChem CID130156167
Molecular FormulaC7H5FN2O2S2
Molecular Weight232.26 g/mol
Exact Mass231.98
IUPAC Name2-amino-1,3-benzothiazole-6-sulfonyl fluoride
SMILESNc1nc2ccc(S(=O)(=O)F)cc2s1
InChIInChI=1S/C7H5FN2O2S2/c8-14(11,12)4-1-2-5-6(3-4)13-7(9)10-5/h1-3H,(H2,9,10)
InChIKeyMZYRTMMXMPIVQJ-UHFFFAOYSA-N
XLogP1.54
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methylsulfonyl-1,3-benzothiazol-2-amine;hydrochloride
CID 53433226
6-propan-2-ylsulfonyl-1,3-benzothiazol-2-amine
CID 82549906
2-methyl-1,3-benzothiazole-6-sulfonyl fluoride
CID 150804150
2-amino-6-fluorosulfonyloxy-1,3-benzothiazole
CID 118566745
N-(2-amino-1,3-benzothiazol-6-yl)-N-oxidohydroxylamine
CID 163173457
2-amino-N-(4-methylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 91679872
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
[3-(dimethylamino)phenyl] 2-amino-1,3-benzothiazole-6-sulfonate
CID 21455596
(3S)-1-[(2-amino-1,3-benzothiazol-6-yl)sulfonyl]pyrrolidin-3-ol
CID 146346248
6-(benzenesulfonylmethyl)-1,3-benzothiazol-2-amine
CID 20983952
CID 158604119
CID 158604119

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-benzothiazole-6-sulfonyl fluoride?
The IUPAC name of 2-amino-1,3-benzothiazole-6-sulfonyl fluoride (CID 130156167) is 2-amino-1,3-benzothiazole-6-sulfonyl fluoride.
What is the SMILES notation for 2-amino-1,3-benzothiazole-6-sulfonyl fluoride?
The canonical SMILES for 2-amino-1,3-benzothiazole-6-sulfonyl fluoride is Nc1nc2ccc(S(=O)(=O)F)cc2s1.
What is the InChIKey of 2-amino-1,3-benzothiazole-6-sulfonyl fluoride?
The InChIKey is MZYRTMMXMPIVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O2S2/c8-14(11,12)4-1-2-5-6(3-4)13-7(9)10-5/h1-3H,(H2,9,10).
What are the key properties of 2-amino-1,3-benzothiazole-6-sulfonyl fluoride?
2-amino-1,3-benzothiazole-6-sulfonyl fluoride has a molecular weight of 232.26 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-benzothiazole-6-sulfonyl fluoride is sourced from PubChem (CID 130156167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).