4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide

C10H9N5O4S — CID 116787794

IUPAC4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccnn2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9N5O4S/c11-7-3-4-9(8(6-7)15(16)17)20(18,19)14-10-2-1-5-12-13-10/h1-6H,11H2,(H,13,14)
InChIKeyXXRBMGKDROFXPR-UHFFFAOYSA-N
MW295.28 g/mol
LogP0.77
Rot. Bonds4

About 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide

4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 116787794) has the molecular formula C10H9N5O4S and a molecular weight of 295.28 g/mol. Its IUPAC name is 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID116787794
Molecular FormulaC10H9N5O4S
Molecular Weight295.28 g/mol
Exact Mass295.04
IUPAC Name4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2cccnn2)c([N+](=O)[O-])c1
InChIInChI=1S/C10H9N5O4S/c11-7-3-4-9(8(6-7)15(16)17)20(18,19)14-10-2-1-5-12-13-10/h1-6H,11H2,(H,13,14)
InChIKeyXXRBMGKDROFXPR-UHFFFAOYSA-N
XLogP0.77
TPSA141.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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-pyridazin-3-ylbenzenesulfonamide
CID 116787296
4-amino-2-nitro-N-pyridin-4-ylbenzenesulfonamide
CID 62144738
4-amino-N-(5-chloro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 62144754
4-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 127501672
5-amino-2-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897606
2-[(4-amino-2-nitrophenyl)sulfonylamino]-2-methylpropanamide
CID 62153300
4-amino-2-nitro-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913798
4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide
CID 116787332
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786168
4-amino-N-(3-methylbutan-2-yl)-2-nitrobenzenesulfonamide
CID 62145119
5-amino-2-nitro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62902722

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide (CID 116787794) is 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2cccnn2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is XXRBMGKDROFXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O4S/c11-7-3-4-9(8(6-7)15(16)17)20(18,19)14-10-2-1-5-12-13-10/h1-6H,11H2,(H,13,14).
What are the key properties of 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide?
4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 295.28 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-nitro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 116787794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).