potassium N-chlorosulfonylsulfamate

HClKNO5S2 — CID 162188352

IUPACpotassium N-chlorosulfonylsulfamate
SMILESO=S(=O)([O-])NS(=O)(=O)Cl.[K+]
InChIInChI=1S/ClH2NO5S2.K/c1-8(3,4)2-9(5,6)7;/h2H,(H,5,6,7);/q;+1/p-1
InChIKeyZPYOGSPPHRTMQN-UHFFFAOYSA-M
MW233.69 g/mol
LogP-4.48
Rot. Bonds2

About potassium N-chlorosulfonylsulfamate

potassium N-chlorosulfonylsulfamate (PubChem CID 162188352) has the molecular formula HClKNO5S2 and a molecular weight of 233.69 g/mol. Its IUPAC name is potassium N-chlorosulfonylsulfamate.

Molecular Properties

Compound Namepotassium N-chlorosulfonylsulfamate
PubChem CID162188352
Molecular FormulaHClKNO5S2
Molecular Weight233.69 g/mol
Exact Mass232.86
IUPAC Namepotassium N-chlorosulfonylsulfamate
SMILESO=S(=O)([O-])NS(=O)(=O)Cl.[K+]
InChIInChI=1S/ClH2NO5S2.K/c1-8(3,4)2-9(5,6)7;/h2H,(H,5,6,7);/q;+1/p-1
InChIKeyZPYOGSPPHRTMQN-UHFFFAOYSA-M
XLogP-4.48
TPSA103.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 5-4.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-chlorosulfonylsulfamate?
The IUPAC name of potassium N-chlorosulfonylsulfamate (CID 162188352) is potassium N-chlorosulfonylsulfamate.
What is the SMILES notation for potassium N-chlorosulfonylsulfamate?
The canonical SMILES for potassium N-chlorosulfonylsulfamate is O=S(=O)([O-])NS(=O)(=O)Cl.[K+].
What is the InChIKey of potassium N-chlorosulfonylsulfamate?
The InChIKey is ZPYOGSPPHRTMQN-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH2NO5S2.K/c1-8(3,4)2-9(5,6)7;/h2H,(H,5,6,7);/q;+1/p-1.
What are the key properties of potassium N-chlorosulfonylsulfamate?
potassium N-chlorosulfonylsulfamate has a molecular weight of 233.69 g/mol, XLogP of -4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium N-chlorosulfonylsulfamate is sourced from PubChem (CID 162188352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).