Azosulfamide disodium salt;Neoprontosil disodium salt

H6N6O4S2 — CID 57347983

IUPAC—
SMILESNS(=O)(=O)N=NNNS(N)(=O)=O
InChIInChI=1S/H6N6O4S2/c1-11(7,8)5-3-4-6-12(2,9)10/h(H,4,5)(H,3,6)(H2,1,7,8)(H2,2,9,10)
InChIKeyKTHUNAISSBYPFC-UHFFFAOYSA-N
MW218.22 g/mol
LogP-3.15
Rot. Bonds4

About Azosulfamide disodium salt;Neoprontosil disodium salt

Azosulfamide disodium salt;Neoprontosil disodium salt (PubChem CID 57347983) has the molecular formula H6N6O4S2 and a molecular weight of 218.22 g/mol.

Molecular Properties

Compound NameAzosulfamide disodium salt;Neoprontosil disodium salt
PubChem CID57347983
Molecular FormulaH6N6O4S2
Molecular Weight218.22 g/mol
Exact Mass217.99
IUPAC Name—
SMILESNS(=O)(=O)N=NNNS(N)(=O)=O
InChIInChI=1S/H6N6O4S2/c1-11(7,8)5-3-4-6-12(2,9)10/h(H,4,5)(H,3,6)(H2,1,7,8)(H2,2,9,10)
InChIKeyKTHUNAISSBYPFC-UHFFFAOYSA-N
XLogP-3.15
TPSA169.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 5-3.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Azosulfamide disodium salt;Neoprontosil disodium salt?
The IUPAC name of Azosulfamide disodium salt;Neoprontosil disodium salt (CID 57347983) is not available.
What is the SMILES notation for Azosulfamide disodium salt;Neoprontosil disodium salt?
The canonical SMILES for Azosulfamide disodium salt;Neoprontosil disodium salt is NS(=O)(=O)N=NNNS(N)(=O)=O.
What is the InChIKey of Azosulfamide disodium salt;Neoprontosil disodium salt?
The InChIKey is KTHUNAISSBYPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/H6N6O4S2/c1-11(7,8)5-3-4-6-12(2,9)10/h(H,4,5)(H,3,6)(H2,1,7,8)(H2,2,9,10).
What are the key properties of Azosulfamide disodium salt;Neoprontosil disodium salt?
Azosulfamide disodium salt;Neoprontosil disodium salt has a molecular weight of 218.22 g/mol, XLogP of -3.15, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Azosulfamide disodium salt;Neoprontosil disodium salt is sourced from PubChem (CID 57347983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).