6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide

C7H6FNO2S — CID 22419891

IUPAC6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
SMILESO=S1(=O)Cc2ccc(F)cc2N1
InChIInChI=1S/C7H6FNO2S/c8-6-2-1-5-4-12(10,11)9-7(5)3-6/h1-3,9H,4H2
InChIKeyZPSHATZVADDRFC-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.08
Rot. Bonds

About 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide

6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide (PubChem CID 22419891) has the molecular formula C7H6FNO2S and a molecular weight of 187.19 g/mol. Its IUPAC name is 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide.

Molecular Properties

Compound Name6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
PubChem CID22419891
Molecular FormulaC7H6FNO2S
Molecular Weight187.19 g/mol
Exact Mass187.01
IUPAC Name6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide
SMILESO=S1(=O)Cc2ccc(F)cc2N1
InChIInChI=1S/C7H6FNO2S/c8-6-2-1-5-4-12(10,11)9-7(5)3-6/h1-3,9H,4H2
InChIKeyZPSHATZVADDRFC-UHFFFAOYSA-N
XLogP1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide?
The IUPAC name of 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide (CID 22419891) is 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide.
What is the SMILES notation for 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide?
The canonical SMILES for 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide is O=S1(=O)Cc2ccc(F)cc2N1.
What is the InChIKey of 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide?
The InChIKey is ZPSHATZVADDRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2S/c8-6-2-1-5-4-12(10,11)9-7(5)3-6/h1-3,9H,4H2.
What are the key properties of 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide?
6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide has a molecular weight of 187.19 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,3-dihydro-2,1-benzothiazole 2,2-dioxide is sourced from PubChem (CID 22419891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).