2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide

C10H8Br2N4O2S — CID 116786187

IUPAC2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C10H8Br2N4O2S/c11-6-4-7(12)10(8(13)5-6)19(17,18)16-9-2-1-3-14-15-9/h1-5H,13H2,(H,15,16)
InChIKeyFJZCSZIUMJHIAD-UHFFFAOYSA-N
MW408.08 g/mol
LogP2.38
Rot. Bonds3

About 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide

2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 116786187) has the molecular formula C10H8Br2N4O2S and a molecular weight of 408.08 g/mol. Its IUPAC name is 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID116786187
Molecular FormulaC10H8Br2N4O2S
Molecular Weight408.08 g/mol
Exact Mass405.87
IUPAC Name2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide
SMILESNc1cc(Br)cc(Br)c1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C10H8Br2N4O2S/c11-6-4-7(12)10(8(13)5-6)19(17,18)16-9-2-1-3-14-15-9/h1-5H,13H2,(H,15,16)
InChIKeyFJZCSZIUMJHIAD-UHFFFAOYSA-N
XLogP2.38
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.08
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786168
2-amino-4,6-dibromo-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616854
2-amino-4,6-dibromo-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 43257721
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
4-amino-N-pyridazin-3-ylnaphthalene-1-sulfonamide
CID 116787332
2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251819
5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787807
2-amino-4,6-dibromo-N-(3-ethynylphenyl)benzenesulfonamide
CID 61113465
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
2-amino-4,6-dibromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 43257318
2-amino-4,6-dibromo-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539727

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide (CID 116786187) is 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide is Nc1cc(Br)cc(Br)c1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is FJZCSZIUMJHIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N4O2S/c11-6-4-7(12)10(8(13)5-6)19(17,18)16-9-2-1-3-14-15-9/h1-5H,13H2,(H,15,16).
What are the key properties of 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide?
2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 408.08 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-dibromo-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 116786187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).