potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride

C9H9KNNaO5S — CID 173444664

IUPACpotassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride
SMILESO=C1c2ccccc2C(=O)N1CS(=O)(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C9H7NO5S.K.Na.2H/c11-8-6-3-1-2-4-7(6)9(12)10(8)5-16(13,14)15;;;;/h1-4H,5H2,(H,13,14,15);;;;/q;2*+1;2*-1
InChIKeyNAOSOJJUIIUUEP-UHFFFAOYSA-N
MW305.33 g/mol
LogP-5.64
Rot. Bonds2

About potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride

potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride (PubChem CID 173444664) has the molecular formula C9H9KNNaO5S and a molecular weight of 305.33 g/mol. Its IUPAC name is potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride
PubChem CID173444664
Molecular FormulaC9H9KNNaO5S
Molecular Weight305.33 g/mol
Exact Mass304.97
IUPAC Namepotassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride
SMILESO=C1c2ccccc2C(=O)N1CS(=O)(=O)O.[H-].[H-].[K+].[Na+]
InChIInChI=1S/C9H7NO5S.K.Na.2H/c11-8-6-3-1-2-4-7(6)9(12)10(8)5-16(13,14)15;;;;/h1-4H,5H2,(H,13,14,15);;;;/q;2*+1;2*-1
InChIKeyNAOSOJJUIIUUEP-UHFFFAOYSA-N
XLogP-5.64
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-5.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)propane-1-sulfonic acid
CID 3385233
disodium;hydride;2-(3-hydroxysulfonothioyloxypropyl)isoindole-1,3-dione
CID 173377478
3-[(1,3-dioxoisoindol-2-yl)methylsulfonyl]propanoic acid
CID 121012247
sodium;anthracene-9,10-dione;hydride;sulfuric acid
CID 173166702
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
4-[(1,3-dioxoisoindol-2-yl)methyl]benzenesulfonyl chloride;sulfurochloridic acid
CID 159849106
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-(3-iodo-2-oxopropyl)isoindole-1,3-dione
CID 71756469
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
2-(1,3-dioxoisoindol-2-yl)acetyl chloride
CID 11031536
1-amino-4-(1,3-dioxoisoindol-2-yl)-1-oxobutane-2-sulfonic acid
CID 174304995
2-amino-3-(1,3-dioxoisoindol-2-yl)-3-oxopropane-1-sulfonic acid
CID 175438785

Frequently Asked Questions

What is the IUPAC name of potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride?
The IUPAC name of potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride (CID 173444664) is potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride.
What is the SMILES notation for potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride?
The canonical SMILES for potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride is O=C1c2ccccc2C(=O)N1CS(=O)(=O)O.[H-].[H-].[K+].[Na+].
What is the InChIKey of potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride?
The InChIKey is NAOSOJJUIIUUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5S.K.Na.2H/c11-8-6-3-1-2-4-7(6)9(12)10(8)5-16(13,14)15;;;;/h1-4H,5H2,(H,13,14,15);;;;/q;2*+1;2*-1.
What are the key properties of potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride?
potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride has a molecular weight of 305.33 g/mol, XLogP of -5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;sodium;(1,3-dioxoisoindol-2-yl)methanesulfonic acid;hydride is sourced from PubChem (CID 173444664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).