potassium;2-chlorobenzenesulfonic acid;hydride

C6H6ClKO3S — CID 173108093

IUPACpotassium;2-chlorobenzenesulfonic acid;hydride
SMILESO=S(=O)(O)c1ccccc1Cl.[H-].[K+]
InChIInChI=1S/C6H5ClO3S.K.H/c7-5-3-1-2-4-6(5)11(8,9)10;;/h1-4H,(H,8,9,10);;/q;+1;-1
InChIKeyZAPWDHHDOREQDH-UHFFFAOYSA-N
MW232.73 g/mol
LogP-1.30
Rot. Bonds1

About potassium;2-chlorobenzenesulfonic acid;hydride

potassium;2-chlorobenzenesulfonic acid;hydride (PubChem CID 173108093) has the molecular formula C6H6ClKO3S and a molecular weight of 232.73 g/mol. Its IUPAC name is potassium;2-chlorobenzenesulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;2-chlorobenzenesulfonic acid;hydride
PubChem CID173108093
Molecular FormulaC6H6ClKO3S
Molecular Weight232.73 g/mol
Exact Mass231.94
IUPAC Namepotassium;2-chlorobenzenesulfonic acid;hydride
SMILESO=S(=O)(O)c1ccccc1Cl.[H-].[K+]
InChIInChI=1S/C6H5ClO3S.K.H/c7-5-3-1-2-4-6(5)11(8,9)10;;/h1-4H,(H,8,9,10);;/q;+1;-1
InChIKeyZAPWDHHDOREQDH-UHFFFAOYSA-N
XLogP-1.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chlorobenzenesulfonic acid;2-fluorobenzenesulfonic acid
CID 161100557
2-[2-(2-chlorophenyl)phenyl]benzenesulfonic acid
CID 87704061
3-chloro-2-iodobenzenesulfonic acid
CID 151573815
3-chloro-2-phenylbenzenesulfonic acid
CID 54507114
barium(2+);2,5-dichlorobenzenesulfonic acid;hydride
CID 173437131
chloro-(2-chlorophenyl)-methylidene-oxo-λ6-sulfane
CID 59505270
2-chlorobenzenesulfonate;rubidium(1+)
CID 139842295
sodium;2,4-dichlorobenzenesulfonic acid;hydride
CID 173175851
potassium;hydride;naphthalene-1-sulfonic acid
CID 173036389
lithium;2-chloropyridine-3-sulfonic acid;hydride
CID 173107701
cesium;2-ethynylbenzenesulfonic acid;hydride
CID 175384860
trisodium;hydride;2-phosphanylbenzenesulfonic acid
CID 173271580

Frequently Asked Questions

What is the IUPAC name of potassium;2-chlorobenzenesulfonic acid;hydride?
The IUPAC name of potassium;2-chlorobenzenesulfonic acid;hydride (CID 173108093) is potassium;2-chlorobenzenesulfonic acid;hydride.
What is the SMILES notation for potassium;2-chlorobenzenesulfonic acid;hydride?
The canonical SMILES for potassium;2-chlorobenzenesulfonic acid;hydride is O=S(=O)(O)c1ccccc1Cl.[H-].[K+].
What is the InChIKey of potassium;2-chlorobenzenesulfonic acid;hydride?
The InChIKey is ZAPWDHHDOREQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3S.K.H/c7-5-3-1-2-4-6(5)11(8,9)10;;/h1-4H,(H,8,9,10);;/q;+1;-1.
What are the key properties of potassium;2-chlorobenzenesulfonic acid;hydride?
potassium;2-chlorobenzenesulfonic acid;hydride has a molecular weight of 232.73 g/mol, XLogP of -1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-chlorobenzenesulfonic acid;hydride is sourced from PubChem (CID 173108093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).