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

C18H16N8O3S — CID 135993315

IUPAC4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N8O3S/c19-17-16(18(27)24-23-17)22-21-12-6-8-14(9-7-12)30(28,29)25-15-10-11-20-26(15)13-4-2-1-3-5-13/h1-11,25H,(H4,19,23,24,27)/b22-21+
InChIKeyAUWZABOWLXTANE-QURGRASLSA-N
MW424.45 g/mol
LogP2.69
Rot. Bonds6

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

4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 135993315) has the molecular formula C18H16N8O3S and a molecular weight of 424.45 g/mol. Its IUPAC name is 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID135993315
Molecular FormulaC18H16N8O3S
Molecular Weight424.45 g/mol
Exact Mass424.11
IUPAC Name4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESNc1[nH][nH]c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1
InChIInChI=1S/C18H16N8O3S/c19-17-16(18(27)24-23-17)22-21-12-6-8-14(9-7-12)30(28,29)25-15-10-11-20-26(15)13-4-2-1-3-5-13/h1-11,25H,(H4,19,23,24,27)/b22-21+
InChIKeyAUWZABOWLXTANE-QURGRASLSA-N
XLogP2.69
TPSA163.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide (CID 135993315) is 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is Nc1[nH][nH]c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1.
What is the InChIKey of 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is AUWZABOWLXTANE-QURGRASLSA-N. The full InChI is InChI=1S/C18H16N8O3S/c19-17-16(18(27)24-23-17)22-21-12-6-8-14(9-7-12)30(28,29)25-15-10-11-20-26(15)13-4-2-1-3-5-13/h1-11,25H,(H4,19,23,24,27)/b22-21+.
What are the key properties of 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide?
4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 424.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-oxo-1,2-dihydropyrazol-4-yl)diazenyl]-N-(2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 135993315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).