5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide

C10H10N6O4S — CID 116787296

IUPAC5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C10H10N6O4S/c11-13-7-3-4-8(16(17)18)9(6-7)21(19,20)15-10-2-1-5-12-14-10/h1-6,13H,11H2,(H,14,15)
InChIKeyXXKNWRPRELUNKH-UHFFFAOYSA-N
MW310.30 g/mol
LogP0.47
Rot. Bonds5

About 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide

5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 116787296) has the molecular formula C10H10N6O4S and a molecular weight of 310.30 g/mol. Its IUPAC name is 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID116787296
Molecular FormulaC10H10N6O4S
Molecular Weight310.30 g/mol
Exact Mass310.05
IUPAC Name5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccnn2)c1
InChIInChI=1S/C10H10N6O4S/c11-13-7-3-4-8(16(17)18)9(6-7)21(19,20)15-10-2-1-5-12-14-10/h1-6,13H,11H2,(H,14,15)
InChIKeyXXKNWRPRELUNKH-UHFFFAOYSA-N
XLogP0.47
TPSA153.14 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-hydrazinyl-2-nitro-N-pyrimidin-2-ylbenzenesulfonamide
CID 60989700
4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787794
5-hydrazinyl-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 60989473
4-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 127501672
N-ethyl-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 60988898
N-(2,4-dimethylphenyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 4104774
5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 59436556
5-amino-2-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897606
N-(2,3-dimethylbutyl)-5-hydrazinyl-2-nitrobenzenesulfonamide
CID 64598176
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084095
5-hydrazinyl-N-morpholin-4-yl-2-nitrobenzenesulfonamide
CID 83018411

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide (CID 116787296) is 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide is NNc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2cccnn2)c1.
What is the InChIKey of 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is XXKNWRPRELUNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4S/c11-13-7-3-4-8(16(17)18)9(6-7)21(19,20)15-10-2-1-5-12-14-10/h1-6,13H,11H2,(H,14,15).
What are the key properties of 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide?
5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 310.30 g/mol, XLogP of 0.47, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 116787296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).