sodium;chlorosulfonyloxybenzene;hydride

C6H6ClNaO3S — CID 174571400

IUPACsodium;chlorosulfonyloxybenzene;hydride
SMILESO=S(=O)(Cl)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H5ClO3S.Na.H/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H;;/q;+1;-1
InChIKeySVHMWURBNBAODH-UHFFFAOYSA-N
MW216.62 g/mol
LogP-1.33
Rot. Bonds2

About sodium;chlorosulfonyloxybenzene;hydride

sodium;chlorosulfonyloxybenzene;hydride (PubChem CID 174571400) has the molecular formula C6H6ClNaO3S and a molecular weight of 216.62 g/mol. Its IUPAC name is sodium;chlorosulfonyloxybenzene;hydride.

Molecular Properties

Compound Namesodium;chlorosulfonyloxybenzene;hydride
PubChem CID174571400
Molecular FormulaC6H6ClNaO3S
Molecular Weight216.62 g/mol
Exact Mass215.96
IUPAC Namesodium;chlorosulfonyloxybenzene;hydride
SMILESO=S(=O)(Cl)Oc1ccccc1.[H-].[Na+]
InChIInChI=1S/C6H5ClO3S.Na.H/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H;;/q;+1;-1
InChIKeySVHMWURBNBAODH-UHFFFAOYSA-N
XLogP-1.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;chlorosulfonyloxybenzene;hydride?
The IUPAC name of sodium;chlorosulfonyloxybenzene;hydride (CID 174571400) is sodium;chlorosulfonyloxybenzene;hydride.
What is the SMILES notation for sodium;chlorosulfonyloxybenzene;hydride?
The canonical SMILES for sodium;chlorosulfonyloxybenzene;hydride is O=S(=O)(Cl)Oc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;chlorosulfonyloxybenzene;hydride?
The InChIKey is SVHMWURBNBAODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3S.Na.H/c7-11(8,9)10-6-4-2-1-3-5-6;;/h1-5H;;/q;+1;-1.
What are the key properties of sodium;chlorosulfonyloxybenzene;hydride?
sodium;chlorosulfonyloxybenzene;hydride has a molecular weight of 216.62 g/mol, XLogP of -1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chlorosulfonyloxybenzene;hydride is sourced from PubChem (CID 174571400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).