5-fluorosulfonyloxy-1,2-benzothiazole

C7H4FNO3S2 — CID 146049111

IUPAC5-fluorosulfonyloxy-1,2-benzothiazole
SMILESO=S(=O)(F)Oc1ccc2sncc2c1
InChIInChI=1S/C7H4FNO3S2/c8-14(10,11)12-6-1-2-7-5(3-6)4-9-13-7/h1-4H
InChIKeyZQZZJPKBQQRYIJ-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.89
Rot. Bonds2

About 5-fluorosulfonyloxy-1,2-benzothiazole

5-fluorosulfonyloxy-1,2-benzothiazole (PubChem CID 146049111) has the molecular formula C7H4FNO3S2 and a molecular weight of 233.25 g/mol. Its IUPAC name is 5-fluorosulfonyloxy-1,2-benzothiazole.

Molecular Properties

Compound Name5-fluorosulfonyloxy-1,2-benzothiazole
PubChem CID146049111
Molecular FormulaC7H4FNO3S2
Molecular Weight233.25 g/mol
Exact Mass232.96
IUPAC Name5-fluorosulfonyloxy-1,2-benzothiazole
SMILESO=S(=O)(F)Oc1ccc2sncc2c1
InChIInChI=1S/C7H4FNO3S2/c8-14(10,11)12-6-1-2-7-5(3-6)4-9-13-7/h1-4H
InChIKeyZQZZJPKBQQRYIJ-UHFFFAOYSA-N
XLogP1.89
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluorosulfonyloxy-1,2-benzothiazole?
The IUPAC name of 5-fluorosulfonyloxy-1,2-benzothiazole (CID 146049111) is 5-fluorosulfonyloxy-1,2-benzothiazole.
What is the SMILES notation for 5-fluorosulfonyloxy-1,2-benzothiazole?
The canonical SMILES for 5-fluorosulfonyloxy-1,2-benzothiazole is O=S(=O)(F)Oc1ccc2sncc2c1.
What is the InChIKey of 5-fluorosulfonyloxy-1,2-benzothiazole?
The InChIKey is ZQZZJPKBQQRYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO3S2/c8-14(10,11)12-6-1-2-7-5(3-6)4-9-13-7/h1-4H.
What are the key properties of 5-fluorosulfonyloxy-1,2-benzothiazole?
5-fluorosulfonyloxy-1,2-benzothiazole has a molecular weight of 233.25 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorosulfonyloxy-1,2-benzothiazole is sourced from PubChem (CID 146049111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).