potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid

C8H10BF3KNO7S — CID 162013282

IUPACpotassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)c1ccccc1.O=C(O)C(F)(F)F.[K+].[O-]B(O)O
InChIInChI=1S/C6H7NO2S.C2HF3O2.BH2O3.K/c7-10(8,9)6-4-2-1-3-5-6;3-2(4,5)1(6)7;2-1(3)4;/h1-5H,(H2,7,8,9);(H,6,7);2-3H;/q;;-1;+1
InChIKeyXZVOHGWWZFYEJJ-UHFFFAOYSA-N
MW371.14 g/mol
LogP-4.71
Rot. Bonds1

About potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid

potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid (PubChem CID 162013282) has the molecular formula C8H10BF3KNO7S and a molecular weight of 371.14 g/mol. Its IUPAC name is potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepotassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid
PubChem CID162013282
Molecular FormulaC8H10BF3KNO7S
Molecular Weight371.14 g/mol
Exact Mass370.99
IUPAC Namepotassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)c1ccccc1.O=C(O)C(F)(F)F.[K+].[O-]B(O)O
InChIInChI=1S/C6H7NO2S.C2HF3O2.BH2O3.K/c7-10(8,9)6-4-2-1-3-5-6;3-2(4,5)1(6)7;2-1(3)4;/h1-5H,(H2,7,8,9);(H,6,7);2-3H;/q;;-1;+1
InChIKeyXZVOHGWWZFYEJJ-UHFFFAOYSA-N
XLogP-4.71
TPSA160.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.14
LogP ≤ 5-4.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzenesulfonamide;boric acid
CID 160795607
benzenesulfonamide;ethanimidoyl chloride;2,2,2-trifluoroacetic acid
CID 174852884
benzenesulfonamide;methanol
CID 23223292
disodium;benzenesulfonamide;hydride
CID 174402178
4-benzoylbenzenesulfonamide
CID 70209200
benzenesulfonamide;4-fluorobenzenesulfonamide;bis(sulfuryl dichloride)
CID 174977525
benzenesulfonamide;2-methylpropane
CID 157350693
4-(N-(4-sulfamoylphenyl)anilino)benzoic acid
CID 174477700
phenol;tris(2,2,2-trifluoroacetic acid)
CID 174054747
potassium 4-sulfamoylbenzoate
CID 23684074
4-(N-fluoroanilino)benzenesulfonamide
CID 174932224
4-[2-(1,1,1-trifluoro-3-phenylpropan-2-ylidene)hydrazinyl]benzenesulfonamide
CID 85329773

Frequently Asked Questions

What is the IUPAC name of potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid?
The IUPAC name of potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid (CID 162013282) is potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid?
The canonical SMILES for potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid is NS(=O)(=O)c1ccccc1.O=C(O)C(F)(F)F.[K+].[O-]B(O)O.
What is the InChIKey of potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid?
The InChIKey is XZVOHGWWZFYEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S.C2HF3O2.BH2O3.K/c7-10(8,9)6-4-2-1-3-5-6;3-2(4,5)1(6)7;2-1(3)4;/h1-5H,(H2,7,8,9);(H,6,7);2-3H;/q;;-1;+1.
What are the key properties of potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid?
potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid has a molecular weight of 371.14 g/mol, XLogP of -4.71, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;benzenesulfonamide;dihydrogen borate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 162013282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).