1,3-benzothiazole-5-sulfonyl fluoride

C7H4FNO2S2 — CID 162413709

IUPAC1,3-benzothiazole-5-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc2scnc2c1
InChIInChI=1S/C7H4FNO2S2/c8-13(10,11)5-1-2-7-6(3-5)9-4-12-7/h1-4H
InChIKeyGFKQAUVSLMBRLB-UHFFFAOYSA-N
MW217.25 g/mol
LogP1.95
Rot. Bonds1

About 1,3-benzothiazole-5-sulfonyl fluoride

1,3-benzothiazole-5-sulfonyl fluoride (PubChem CID 162413709) has the molecular formula C7H4FNO2S2 and a molecular weight of 217.25 g/mol. Its IUPAC name is 1,3-benzothiazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name1,3-benzothiazole-5-sulfonyl fluoride
PubChem CID162413709
Molecular FormulaC7H4FNO2S2
Molecular Weight217.25 g/mol
Exact Mass216.97
IUPAC Name1,3-benzothiazole-5-sulfonyl fluoride
SMILESO=S(=O)(F)c1ccc2scnc2c1
InChIInChI=1S/C7H4FNO2S2/c8-13(10,11)5-1-2-7-6(3-5)9-4-12-7/h1-4H
InChIKeyGFKQAUVSLMBRLB-UHFFFAOYSA-N
XLogP1.95
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzothiazole-5-sulfonyl fluoride?
The IUPAC name of 1,3-benzothiazole-5-sulfonyl fluoride (CID 162413709) is 1,3-benzothiazole-5-sulfonyl fluoride.
What is the SMILES notation for 1,3-benzothiazole-5-sulfonyl fluoride?
The canonical SMILES for 1,3-benzothiazole-5-sulfonyl fluoride is O=S(=O)(F)c1ccc2scnc2c1.
What is the InChIKey of 1,3-benzothiazole-5-sulfonyl fluoride?
The InChIKey is GFKQAUVSLMBRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO2S2/c8-13(10,11)5-1-2-7-6(3-5)9-4-12-7/h1-4H.
What are the key properties of 1,3-benzothiazole-5-sulfonyl fluoride?
1,3-benzothiazole-5-sulfonyl fluoride has a molecular weight of 217.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzothiazole-5-sulfonyl fluoride is sourced from PubChem (CID 162413709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).