potassium 4-sulfamoylbenzoate

C7H6KNO4S — CID 23684074

IUPACpotassium 4-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(C(=O)[O-])cc1.[K+]
InChIInChI=1S/C7H7NO4S.K/c8-13(11,12)6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10)(H2,8,11,12);/q;+1/p-1
InChIKeyFPKOLKQNBSMODW-UHFFFAOYSA-M
MW239.29 g/mol
LogP-4.30
Rot. Bonds2

About potassium 4-sulfamoylbenzoate

potassium 4-sulfamoylbenzoate (PubChem CID 23684074) has the molecular formula C7H6KNO4S and a molecular weight of 239.29 g/mol. Its IUPAC name is potassium 4-sulfamoylbenzoate.

Molecular Properties

Compound Namepotassium 4-sulfamoylbenzoate
PubChem CID23684074
Molecular FormulaC7H6KNO4S
Molecular Weight239.29 g/mol
Exact Mass238.97
IUPAC Namepotassium 4-sulfamoylbenzoate
SMILESNS(=O)(=O)c1ccc(C(=O)[O-])cc1.[K+]
InChIInChI=1S/C7H7NO4S.K/c8-13(11,12)6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10)(H2,8,11,12);/q;+1/p-1
InChIKeyFPKOLKQNBSMODW-UHFFFAOYSA-M
XLogP-4.30
TPSA100.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 5-4.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dilithium;terephthalate
CID 14361651
dipotassium;terephthalate
CID 25981
4-sulfamoylbenzoyl iodide
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dipotassium;4-sulfonatobenzoate
CID 112758441
4-(N-(2-oxohydrazinyl)-4-sulfamoylanilino)benzoate
CID 71414234
magnesium 4-sulfonatobenzoate
CID 162314428
terephthalate;vanadium(4+)
CID 157213578
4-benzoylbenzenesulfonamide
CID 70209200
4-propanoylbenzenesulfonamide
CID 70209431
N,N-dimethyl-4-sulfamoylbenzamide
CID 10353728
azanium;sodium;terephthalate
CID 18352242
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098

Frequently Asked Questions

What is the IUPAC name of potassium 4-sulfamoylbenzoate?
The IUPAC name of potassium 4-sulfamoylbenzoate (CID 23684074) is potassium 4-sulfamoylbenzoate.
What is the SMILES notation for potassium 4-sulfamoylbenzoate?
The canonical SMILES for potassium 4-sulfamoylbenzoate is NS(=O)(=O)c1ccc(C(=O)[O-])cc1.[K+].
What is the InChIKey of potassium 4-sulfamoylbenzoate?
The InChIKey is FPKOLKQNBSMODW-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO4S.K/c8-13(11,12)6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10)(H2,8,11,12);/q;+1/p-1.
What are the key properties of potassium 4-sulfamoylbenzoate?
potassium 4-sulfamoylbenzoate has a molecular weight of 239.29 g/mol, XLogP of -4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-sulfamoylbenzoate is sourced from PubChem (CID 23684074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).