potassium;hydride;4-iodo-2-sulfobenzoic acid

C7H6IKO5S — CID 173191669

IUPACpotassium;hydride;4-iodo-2-sulfobenzoic acid
SMILESO=C(O)c1ccc(I)cc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C7H5IO5S.K.H/c8-4-1-2-5(7(9)10)6(3-4)14(11,12)13;;/h1-3H,(H,9,10)(H,11,12,13);;/q;+1;-1
InChIKeyUXCKNNPPQLFJCU-UHFFFAOYSA-N
MW368.19 g/mol
LogP-1.65
Rot. Bonds2

About potassium;hydride;4-iodo-2-sulfobenzoic acid

potassium;hydride;4-iodo-2-sulfobenzoic acid (PubChem CID 173191669) has the molecular formula C7H6IKO5S and a molecular weight of 368.19 g/mol. Its IUPAC name is potassium;hydride;4-iodo-2-sulfobenzoic acid.

Molecular Properties

Compound Namepotassium;hydride;4-iodo-2-sulfobenzoic acid
PubChem CID173191669
Molecular FormulaC7H6IKO5S
Molecular Weight368.19 g/mol
Exact Mass367.86
IUPAC Namepotassium;hydride;4-iodo-2-sulfobenzoic acid
SMILESO=C(O)c1ccc(I)cc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C7H5IO5S.K.H/c8-4-1-2-5(7(9)10)6(3-4)14(11,12)13;;/h1-3H,(H,9,10)(H,11,12,13);;/q;+1;-1
InChIKeyUXCKNNPPQLFJCU-UHFFFAOYSA-N
XLogP-1.65
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chlorosulfonyl-4-iodobenzoic acid
CID 87913785
sodium;hydride;2-sulfoterephthalic acid
CID 173004511
sodium;hydride;4-nitro-2-sulfobenzoic acid
CID 173234399
2-amino-5-iodobenzenesulfonic acid
CID 11087848
lithium;2-sulfobenzoic acid;chloride
CID 87872456
sodium;4-ethoxycarbonyl-2-sulfobenzoic acid;hydride
CID 174753124
potassium;benzene-1,2,4,5-tetracarboxylic acid;hydride
CID 174674645
4-sulfobenzene-1,2,3-tricarboxylic acid
CID 19039262
4-amino-2-[(4-iodophenyl)sulfamoyl]benzoic acid
CID 102930866
4-sulfophthalic acid;trihydrochloride
CID 173375578
bis(2-hydroxy-5-iodobenzoic acid);zinc
CID 168801294
dipotassium;4-(4-carboxylato-3-sulfophenyl)-2-sulfobenzoate
CID 141467983

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;4-iodo-2-sulfobenzoic acid?
The IUPAC name of potassium;hydride;4-iodo-2-sulfobenzoic acid (CID 173191669) is potassium;hydride;4-iodo-2-sulfobenzoic acid.
What is the SMILES notation for potassium;hydride;4-iodo-2-sulfobenzoic acid?
The canonical SMILES for potassium;hydride;4-iodo-2-sulfobenzoic acid is O=C(O)c1ccc(I)cc1S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;hydride;4-iodo-2-sulfobenzoic acid?
The InChIKey is UXCKNNPPQLFJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IO5S.K.H/c8-4-1-2-5(7(9)10)6(3-4)14(11,12)13;;/h1-3H,(H,9,10)(H,11,12,13);;/q;+1;-1.
What are the key properties of potassium;hydride;4-iodo-2-sulfobenzoic acid?
potassium;hydride;4-iodo-2-sulfobenzoic acid has a molecular weight of 368.19 g/mol, XLogP of -1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;4-iodo-2-sulfobenzoic acid is sourced from PubChem (CID 173191669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).