sodium;4-aminobenzenesulfonamide;hydride

C6H9N2NaO2S — CID 173094657

IUPACsodium;4-aminobenzenesulfonamide;hydride
SMILESNc1ccc(S(N)(=O)=O)cc1.[H-].[Na+]
InChIInChI=1S/C6H8N2O2S.Na.H/c7-5-1-3-6(4-2-5)11(8,9)10;;/h1-4H,7H2,(H2,8,9,10);;/q;+1;-1
InChIKeyXQVXISOXYYVZFP-UHFFFAOYSA-N
MW196.21 g/mol
LogP-2.97
Rot. Bonds1

About sodium;4-aminobenzenesulfonamide;hydride

sodium;4-aminobenzenesulfonamide;hydride (PubChem CID 173094657) has the molecular formula C6H9N2NaO2S and a molecular weight of 196.21 g/mol. Its IUPAC name is sodium;4-aminobenzenesulfonamide;hydride.

Molecular Properties

Compound Namesodium;4-aminobenzenesulfonamide;hydride
PubChem CID173094657
Molecular FormulaC6H9N2NaO2S
Molecular Weight196.21 g/mol
Exact Mass196.03
IUPAC Namesodium;4-aminobenzenesulfonamide;hydride
SMILESNc1ccc(S(N)(=O)=O)cc1.[H-].[Na+]
InChIInChI=1S/C6H8N2O2S.Na.H/c7-5-1-3-6(4-2-5)11(8,9)10;;/h1-4H,7H2,(H2,8,9,10);;/q;+1;-1
InChIKeyXQVXISOXYYVZFP-UHFFFAOYSA-N
XLogP-2.97
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-2.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 159358457
CID 159358457
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-aminobenzenesulfonamide;azanylidyneazanium
CID 21219865
4-aminobenzenesulfonamide;fluoroform
CID 121362415
acetamide;4-aminobenzenesulfonamide
CID 175093651
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
disodium;benzenesulfonamide;hydride
CID 174402178
4-aminobenzenesulfonamide;2-methylprop-2-enoic acid
CID 174803874
4-aminobenzenesulfonamide;2-(4-sulfamoylphenyl)guanidine
CID 69140999
4-aminobenzenesulfonamide;5-methylpyrimidine
CID 174451060
4-aminobenzenesulfonamide;3-methylbenzene-1,2-diol
CID 174437033
4-(4-aminophenyl)sulfonylaniline;dihydroiodide
CID 24833766

Frequently Asked Questions

What is the IUPAC name of sodium;4-aminobenzenesulfonamide;hydride?
The IUPAC name of sodium;4-aminobenzenesulfonamide;hydride (CID 173094657) is sodium;4-aminobenzenesulfonamide;hydride.
What is the SMILES notation for sodium;4-aminobenzenesulfonamide;hydride?
The canonical SMILES for sodium;4-aminobenzenesulfonamide;hydride is Nc1ccc(S(N)(=O)=O)cc1.[H-].[Na+].
What is the InChIKey of sodium;4-aminobenzenesulfonamide;hydride?
The InChIKey is XQVXISOXYYVZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S.Na.H/c7-5-1-3-6(4-2-5)11(8,9)10;;/h1-4H,7H2,(H2,8,9,10);;/q;+1;-1.
What are the key properties of sodium;4-aminobenzenesulfonamide;hydride?
sodium;4-aminobenzenesulfonamide;hydride has a molecular weight of 196.21 g/mol, XLogP of -2.97, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-aminobenzenesulfonamide;hydride is sourced from PubChem (CID 173094657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).