sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate

C8H11N2NaO4S — CID 6419954

IUPACsodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate
SMILESCC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O.[Na+]
InChIInChI=1S/C8H10N2O3S.Na.H2O/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h2-5H,9H2,1H3,(H,10,11);;1H2/q;+1;/p-1
InChIKeyIHCDKJZZFOUARO-UHFFFAOYSA-M
MW254.24 g/mol
LogP-2.94
Rot. Bonds2

About sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate

sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate (PubChem CID 6419954) has the molecular formula C8H11N2NaO4S and a molecular weight of 254.24 g/mol. Its IUPAC name is sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate.

Molecular Properties

Compound Namesodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate
PubChem CID6419954
Molecular FormulaC8H11N2NaO4S
Molecular Weight254.24 g/mol
Exact Mass254.03
IUPAC Namesodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate
SMILESCC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O.[Na+]
InChIInChI=1S/C8H10N2O3S.Na.H2O/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h2-5H,9H2,1H3,(H,10,11);;1H2/q;+1;/p-1
InChIKeyIHCDKJZZFOUARO-UHFFFAOYSA-M
XLogP-2.94
TPSA122.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-2.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate?
The IUPAC name of sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate (CID 6419954) is sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate.
What is the SMILES notation for sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate?
The canonical SMILES for sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate is CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.O.[Na+].
What is the InChIKey of sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate?
The InChIKey is IHCDKJZZFOUARO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O3S.Na.H2O/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;;/h2-5H,9H2,1H3,(H,10,11);;1H2/q;+1;/p-1.
What are the key properties of sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate?
sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate has a molecular weight of 254.24 g/mol, XLogP of -2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetyl-(4-aminophenyl)sulfonylazanide;hydrate is sourced from PubChem (CID 6419954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).