4-aminobenzenesulfonamide;azanylidyneazanium

C6H9N4O2S+ — CID 21219865

IUPAC4-aminobenzenesulfonamide;azanylidyneazanium
SMILESN#[NH+].Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.N2/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,7H2,(H2,8,9,10);/p+1
InChIKeySRYYRNOGOXQLEN-UHFFFAOYSA-O
MW201.23 g/mol
LogP-1.80
Rot. Bonds1

About 4-aminobenzenesulfonamide;azanylidyneazanium

4-aminobenzenesulfonamide;azanylidyneazanium (PubChem CID 21219865) has the molecular formula C6H9N4O2S+ and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-aminobenzenesulfonamide;azanylidyneazanium.

Molecular Properties

Compound Name4-aminobenzenesulfonamide;azanylidyneazanium
PubChem CID21219865
Molecular FormulaC6H9N4O2S+
Molecular Weight201.23 g/mol
Exact Mass201.04
IUPAC Name4-aminobenzenesulfonamide;azanylidyneazanium
SMILESN#[NH+].Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C6H8N2O2S.N2/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,7H2,(H2,8,9,10);/p+1
InChIKeySRYYRNOGOXQLEN-UHFFFAOYSA-O
XLogP-1.80
TPSA133.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 159358457
CID 159358457
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-aminobenzenesulfonamide;fluoroform
CID 121362415
acetamide;4-aminobenzenesulfonamide
CID 175093651
4-acetylbenzenesulfonamide;4-aminobenzenesulfonamide
CID 158952098
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
acetonitrile;4-methylbenzenesulfonamide
CID 67578872

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzenesulfonamide;azanylidyneazanium?
The IUPAC name of 4-aminobenzenesulfonamide;azanylidyneazanium (CID 21219865) is 4-aminobenzenesulfonamide;azanylidyneazanium.
What is the SMILES notation for 4-aminobenzenesulfonamide;azanylidyneazanium?
The canonical SMILES for 4-aminobenzenesulfonamide;azanylidyneazanium is N#[NH+].Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-aminobenzenesulfonamide;azanylidyneazanium?
The InChIKey is SRYYRNOGOXQLEN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O2S.N2/c7-5-1-3-6(4-2-5)11(8,9)10;1-2/h1-4H,7H2,(H2,8,9,10);/p+1.
What are the key properties of 4-aminobenzenesulfonamide;azanylidyneazanium?
4-aminobenzenesulfonamide;azanylidyneazanium has a molecular weight of 201.23 g/mol, XLogP of -1.80, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzenesulfonamide;azanylidyneazanium is sourced from PubChem (CID 21219865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).