barium(2+);chloro sulfamate;hydride

H4BaClNO3S — CID 174906895

IUPACbarium(2+);chloro sulfamate;hydride
SMILESNS(=O)(=O)OCl.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.ClH2NO3S.2H/c;1-5-6(2,3)4;;/h;(H2,2,3,4);;/q+2;;2*-1
InChIKeyNWORISZBEAOHAD-UHFFFAOYSA-N
MW270.88 g/mol
LogP-0.80
Rot. Bonds1

About barium(2+);chloro sulfamate;hydride

barium(2+);chloro sulfamate;hydride (PubChem CID 174906895) has the molecular formula H4BaClNO3S and a molecular weight of 270.88 g/mol. Its IUPAC name is barium(2+);chloro sulfamate;hydride.

Molecular Properties

Compound Namebarium(2+);chloro sulfamate;hydride
PubChem CID174906895
Molecular FormulaH4BaClNO3S
Molecular Weight270.88 g/mol
Exact Mass270.87
IUPAC Namebarium(2+);chloro sulfamate;hydride
SMILESNS(=O)(=O)OCl.[Ba+2].[H-].[H-]
InChIInChI=1S/Ba.ClH2NO3S.2H/c;1-5-6(2,3)4;;/h;(H2,2,3,4);;/q+2;;2*-1
InChIKeyNWORISZBEAOHAD-UHFFFAOYSA-N
XLogP-0.80
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.88
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze barium(2+);chloro sulfamate;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of barium(2+);chloro sulfamate;hydride?
The IUPAC name of barium(2+);chloro sulfamate;hydride (CID 174906895) is barium(2+);chloro sulfamate;hydride.
What is the SMILES notation for barium(2+);chloro sulfamate;hydride?
The canonical SMILES for barium(2+);chloro sulfamate;hydride is NS(=O)(=O)OCl.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);chloro sulfamate;hydride?
The InChIKey is NWORISZBEAOHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/Ba.ClH2NO3S.2H/c;1-5-6(2,3)4;;/h;(H2,2,3,4);;/q+2;;2*-1.
What are the key properties of barium(2+);chloro sulfamate;hydride?
barium(2+);chloro sulfamate;hydride has a molecular weight of 270.88 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);chloro sulfamate;hydride is sourced from PubChem (CID 174906895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).