potassium 2-(dimethylamino)benzenesulfonate

C8H10KNO3S — CID 139685266

IUPACpotassium 2-(dimethylamino)benzenesulfonate
SMILESCN(C)c1ccccc1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C8H11NO3S.K/c1-9(2)7-5-3-4-6-8(7)13(10,11)12;/h3-6H,1-2H3,(H,10,11,12);/q;+1/p-1
InChIKeyBUGDREOQHVNXCT-UHFFFAOYSA-M
MW239.34 g/mol
LogP-2.34
Rot. Bonds2

About potassium 2-(dimethylamino)benzenesulfonate

potassium 2-(dimethylamino)benzenesulfonate (PubChem CID 139685266) has the molecular formula C8H10KNO3S and a molecular weight of 239.34 g/mol. Its IUPAC name is potassium 2-(dimethylamino)benzenesulfonate.

Molecular Properties

Compound Namepotassium 2-(dimethylamino)benzenesulfonate
PubChem CID139685266
Molecular FormulaC8H10KNO3S
Molecular Weight239.34 g/mol
Exact Mass239.00
IUPAC Namepotassium 2-(dimethylamino)benzenesulfonate
SMILESCN(C)c1ccccc1S(=O)(=O)[O-].[K+]
InChIInChI=1S/C8H11NO3S.K/c1-9(2)7-5-3-4-6-8(7)13(10,11)12;/h3-6H,1-2H3,(H,10,11,12);/q;+1/p-1
InChIKeyBUGDREOQHVNXCT-UHFFFAOYSA-M
XLogP-2.34
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-2.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of potassium 2-(dimethylamino)benzenesulfonate?
The IUPAC name of potassium 2-(dimethylamino)benzenesulfonate (CID 139685266) is potassium 2-(dimethylamino)benzenesulfonate.
What is the SMILES notation for potassium 2-(dimethylamino)benzenesulfonate?
The canonical SMILES for potassium 2-(dimethylamino)benzenesulfonate is CN(C)c1ccccc1S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 2-(dimethylamino)benzenesulfonate?
The InChIKey is BUGDREOQHVNXCT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11NO3S.K/c1-9(2)7-5-3-4-6-8(7)13(10,11)12;/h3-6H,1-2H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of potassium 2-(dimethylamino)benzenesulfonate?
potassium 2-(dimethylamino)benzenesulfonate has a molecular weight of 239.34 g/mol, XLogP of -2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(dimethylamino)benzenesulfonate is sourced from PubChem (CID 139685266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).