4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide

C9H10N6O3S — CID 2718571

IUPAC4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H10N6O3S/c10-8-7(9(16)15-14-8)13-12-5-1-3-6(4-2-5)19(11,17)18/h1-4H,(H2,11,17,18)(H4,10,14,15,16)/b13-12+
InChIKeyUBPDTWKBVCHDJJ-OUKQBFOZSA-N
MW282.29 g/mol
LogP0.35
Rot. Bonds3

About 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide

4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide (PubChem CID 2718571) has the molecular formula C9H10N6O3S and a molecular weight of 282.29 g/mol. Its IUPAC name is 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide
PubChem CID2718571
Molecular FormulaC9H10N6O3S
Molecular Weight282.29 g/mol
Exact Mass282.05
IUPAC Name4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C9H10N6O3S/c10-8-7(9(16)15-14-8)13-12-5-1-3-6(4-2-5)19(11,17)18/h1-4H,(H2,11,17,18)(H4,10,14,15,16)/b13-12+
InChIKeyUBPDTWKBVCHDJJ-OUKQBFOZSA-N
XLogP0.35
TPSA159.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide?
The IUPAC name of 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide (CID 2718571) is 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide?
The canonical SMILES for 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide is Nc1[nH][nH]c(=O)c1/N=N/c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide?
The InChIKey is UBPDTWKBVCHDJJ-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H10N6O3S/c10-8-7(9(16)15-14-8)13-12-5-1-3-6(4-2-5)19(11,17)18/h1-4H,(H2,11,17,18)(H4,10,14,15,16)/b13-12+.
What are the key properties of 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide?
4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]benzenesulfonamide is sourced from PubChem (CID 2718571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).