potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride

C10H11KO7S — CID 173123747

IUPACpotassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride
SMILESCOC(=O)c1cccc(C(=O)OC)c1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C10H10O7S.K.H/c1-16-9(11)6-4-3-5-7(10(12)17-2)8(6)18(13,14)15;;/h3-5H,1-2H3,(H,13,14,15);;/q;+1;-1
InChIKeyIWKZIOSNTHDREG-UHFFFAOYSA-N
MW314.36 g/mol
LogP-2.38
Rot. Bonds3

About potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride

potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride (PubChem CID 173123747) has the molecular formula C10H11KO7S and a molecular weight of 314.36 g/mol. Its IUPAC name is potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride
PubChem CID173123747
Molecular FormulaC10H11KO7S
Molecular Weight314.36 g/mol
Exact Mass313.99
IUPAC Namepotassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride
SMILESCOC(=O)c1cccc(C(=O)OC)c1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C10H10O7S.K.H/c1-16-9(11)6-4-3-5-7(10(12)17-2)8(6)18(13,14)15;;/h3-5H,1-2H3,(H,13,14,15);;/q;+1;-1
InChIKeyIWKZIOSNTHDREG-UHFFFAOYSA-N
XLogP-2.38
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-2.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydrate
CID 172770358
2,6-bis(dimethylphosphanyloxycarbonyl)benzenesulfonic acid
CID 139815429
dimethyl 2-tert-butylsulfonylbenzene-1,3-dicarboxylate
CID 15782892
magnesium;2,3-bis(methoxycarbonyl)benzenesulfonic acid;hydride
CID 175550804
2,6-bis(phenoxycarbonyl)benzenesulfonic acid
CID 150947003
ethane;2-methoxy-3-methoxycarbonylbenzenesulfonic acid
CID 175529964
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
2-ethyl-6-(3-ethyl-2-sulfobenzoyl)oxycarbonylbenzenesulfonic acid
CID 129051103
dimethyl 2-bromobenzene-1,3-dicarboxylate
CID 12699360
methyl 2-hydroxy-3-(methanesulfonamido)benzoate
CID 108783737

Frequently Asked Questions

What is the IUPAC name of potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride?
The IUPAC name of potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride (CID 173123747) is potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride.
What is the SMILES notation for potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride?
The canonical SMILES for potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride is COC(=O)c1cccc(C(=O)OC)c1S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride?
The InChIKey is IWKZIOSNTHDREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O7S.K.H/c1-16-9(11)6-4-3-5-7(10(12)17-2)8(6)18(13,14)15;;/h3-5H,1-2H3,(H,13,14,15);;/q;+1;-1.
What are the key properties of potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride?
potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride has a molecular weight of 314.36 g/mol, XLogP of -2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2,6-bis(methoxycarbonyl)benzenesulfonic acid;hydride is sourced from PubChem (CID 173123747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).