azido(sulfinooxysulfonyl)sulfamic acid

H2N4O8S3 — CID 150985828

IUPACazido(sulfinooxysulfonyl)sulfamic acid
SMILES[N-]=[N+]=NN(S(=O)(=O)O)S(=O)(=O)OS(=O)O
InChIInChI=1S/H2N4O8S3/c1-2-3-4(14(7,8)9)15(10,11)12-13(5)6/h(H,5,6)(H,7,8,9)
InChIKeyLRBGHTGLSMHOLC-UHFFFAOYSA-N
MW282.24 g/mol
LogP-1.29
Rot. Bonds5

About azido(sulfinooxysulfonyl)sulfamic acid

azido(sulfinooxysulfonyl)sulfamic acid (PubChem CID 150985828) has the molecular formula H2N4O8S3 and a molecular weight of 282.24 g/mol. Its IUPAC name is azido(sulfinooxysulfonyl)sulfamic acid.

Molecular Properties

Compound Nameazido(sulfinooxysulfonyl)sulfamic acid
PubChem CID150985828
Molecular FormulaH2N4O8S3
Molecular Weight282.24 g/mol
Exact Mass281.90
IUPAC Nameazido(sulfinooxysulfonyl)sulfamic acid
SMILES[N-]=[N+]=NN(S(=O)(=O)O)S(=O)(=O)OS(=O)O
InChIInChI=1S/H2N4O8S3/c1-2-3-4(14(7,8)9)15(10,11)12-13(5)6/h(H,5,6)(H,7,8,9)
InChIKeyLRBGHTGLSMHOLC-UHFFFAOYSA-N
XLogP-1.29
TPSA187.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze azido(sulfinooxysulfonyl)sulfamic acid with MolForge

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

Launch Full Analysis

Related Compounds

Disulfoazaniumylideneazanide
CID 18446179
Diazene-1,2-disulfonic acid
CID 71335567
Azidosulfonyl hydrogen sulfate
CID 85960724
Sulfurazidic acid;sulfuryl diazide
CID 158543020
CID 173845116
CID 173845116
Sulfuric acid;sulfuryl diazide
CID 173845117
(E)-sulfoiminosulfamic acid
CID 18431952
CID 150813177
CID 150813177

Frequently Asked Questions

What is the IUPAC name of azido(sulfinooxysulfonyl)sulfamic acid?
The IUPAC name of azido(sulfinooxysulfonyl)sulfamic acid (CID 150985828) is azido(sulfinooxysulfonyl)sulfamic acid.
What is the SMILES notation for azido(sulfinooxysulfonyl)sulfamic acid?
The canonical SMILES for azido(sulfinooxysulfonyl)sulfamic acid is [N-]=[N+]=NN(S(=O)(=O)O)S(=O)(=O)OS(=O)O.
What is the InChIKey of azido(sulfinooxysulfonyl)sulfamic acid?
The InChIKey is LRBGHTGLSMHOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/H2N4O8S3/c1-2-3-4(14(7,8)9)15(10,11)12-13(5)6/h(H,5,6)(H,7,8,9).
What are the key properties of azido(sulfinooxysulfonyl)sulfamic acid?
azido(sulfinooxysulfonyl)sulfamic acid has a molecular weight of 282.24 g/mol, XLogP of -1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for azido(sulfinooxysulfonyl)sulfamic acid is sourced from PubChem (CID 150985828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).