sodium acetyl-(4-aminophenyl)sulfonylazanide

C8H9N2NaO3S — CID 4022878

IUPACsodium acetyl-(4-aminophenyl)sulfonylazanide
SMILESCC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.[Na+]
InChIInChI=1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyPQMSFAORUFMASU-UHFFFAOYSA-M
MW236.23 g/mol
LogP-2.12
Rot. Bonds2

About sodium acetyl-(4-aminophenyl)sulfonylazanide

sodium acetyl-(4-aminophenyl)sulfonylazanide (PubChem CID 4022878) has the molecular formula C8H9N2NaO3S and a molecular weight of 236.23 g/mol. Its IUPAC name is sodium acetyl-(4-aminophenyl)sulfonylazanide.

Molecular Properties

Compound Namesodium acetyl-(4-aminophenyl)sulfonylazanide
PubChem CID4022878
Molecular FormulaC8H9N2NaO3S
Molecular Weight236.23 g/mol
Exact Mass236.02
IUPAC Namesodium acetyl-(4-aminophenyl)sulfonylazanide
SMILESCC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.[Na+]
InChIInChI=1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1
InChIKeyPQMSFAORUFMASU-UHFFFAOYSA-M
XLogP-2.12
TPSA91.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-2.12
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?
The IUPAC name of sodium acetyl-(4-aminophenyl)sulfonylazanide (CID 4022878) is sodium acetyl-(4-aminophenyl)sulfonylazanide.
What is the SMILES notation for sodium acetyl-(4-aminophenyl)sulfonylazanide?
The canonical SMILES for sodium acetyl-(4-aminophenyl)sulfonylazanide is CC(=O)[N-]S(=O)(=O)c1ccc(N)cc1.[Na+].
What is the InChIKey of sodium acetyl-(4-aminophenyl)sulfonylazanide?
The InChIKey is PQMSFAORUFMASU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N2O3S.Na/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8;/h2-5H,9H2,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium acetyl-(4-aminophenyl)sulfonylazanide?
sodium acetyl-(4-aminophenyl)sulfonylazanide has a molecular weight of 236.23 g/mol, XLogP of -2.12, 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 is sourced from PubChem (CID 4022878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).