disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride

C7H5F2NNa2O3S — CID 174471763

IUPACdisodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride
SMILESO=C1NS(=O)(=O)c2ccccc21.[F-].[F-].[Na+].[Na+]
InChIInChI=1S/C7H5NO3S.2FH.2Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;;/h1-4H,(H,8,9);2*1H;;/q;;;2*+1/p-2
InChIKeySJQUNEZYUZZJGP-UHFFFAOYSA-L
MW267.16 g/mol
LogP-11.87
Rot. Bonds

About disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride

disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride (PubChem CID 174471763) has the molecular formula C7H5F2NNa2O3S and a molecular weight of 267.16 g/mol. Its IUPAC name is disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride.

Molecular Properties

Compound Namedisodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride
PubChem CID174471763
Molecular FormulaC7H5F2NNa2O3S
Molecular Weight267.16 g/mol
Exact Mass266.98
IUPAC Namedisodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride
SMILESO=C1NS(=O)(=O)c2ccccc21.[F-].[F-].[Na+].[Na+]
InChIInChI=1S/C7H5NO3S.2FH.2Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;;/h1-4H,(H,8,9);2*1H;;/q;;;2*+1/p-2
InChIKeySJQUNEZYUZZJGP-UHFFFAOYSA-L
XLogP-11.87
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 5-11.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pentacosasodium;1,1-dioxo-1,2-benzothiazol-3-one;hydride
CID 173439945
sodium;1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 18324648
CID 67677158
CID 67677158
1,1-dioxo-1,2-benzothiazol-3-one;hydron
CID 135264124
1,1-dioxo-1,2-benzothiazol-3-one;iron
CID 175330188
1,1-dioxo-1,2-benzothiazol-3-one;hydrate
CID 66978509
copper(1+);1,1-dioxo-1,2-benzothiazol-3-one
CID 23615957
1,2-Benzothiazol-3(2H)-one 1,1-dioxide disodium salt
CID 69118459
1,1-dioxo-1,2-benzothiazol-3-one;iron;zinc
CID 175249806
tris(1,1-dioxo-1,2-benzothiazol-3-one);iron;hydrate
CID 66878202
CID 174881995
CID 174881995
acetic acid;bis(1,1-dioxo-1,2-benzothiazol-3-one)
CID 172774685

Frequently Asked Questions

What is the IUPAC name of disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride?
The IUPAC name of disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride (CID 174471763) is disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride.
What is the SMILES notation for disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride?
The canonical SMILES for disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride is O=C1NS(=O)(=O)c2ccccc21.[F-].[F-].[Na+].[Na+].
What is the InChIKey of disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride?
The InChIKey is SJQUNEZYUZZJGP-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H5NO3S.2FH.2Na/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;;/h1-4H,(H,8,9);2*1H;;/q;;;2*+1/p-2.
What are the key properties of disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride?
disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride has a molecular weight of 267.16 g/mol, XLogP of -11.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;1,1-dioxo-1,2-benzothiazol-3-one;difluoride is sourced from PubChem (CID 174471763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).