4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C11H10Br2N4O2S — CID 106894707

IUPAC4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NCc2cccnn2)c(Br)c1
InChIInChI=1S/C11H10Br2N4O2S/c12-9-4-7(14)5-10(13)11(9)20(18,19)16-6-8-2-1-3-15-17-8/h1-5,16H,6,14H2
InChIKeyUODPXERNELNUDM-UHFFFAOYSA-N
MW422.10 g/mol
LogP2.06
Rot. Bonds4

About 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide

4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106894707) has the molecular formula C11H10Br2N4O2S and a molecular weight of 422.10 g/mol. Its IUPAC name is 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106894707
Molecular FormulaC11H10Br2N4O2S
Molecular Weight422.10 g/mol
Exact Mass419.89
IUPAC Name4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESNc1cc(Br)c(S(=O)(=O)NCc2cccnn2)c(Br)c1
InChIInChI=1S/C11H10Br2N4O2S/c12-9-4-7(14)5-10(13)11(9)20(18,19)16-6-8-2-1-3-15-17-8/h1-5,16H,6,14H2
InChIKeyUODPXERNELNUDM-UHFFFAOYSA-N
XLogP2.06
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 52.06
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-ylmethyl)benzenesulfonamide
CID 106894675
2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833668
6-amino-2,3-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894668
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
4-amino-2,6-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82882267
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
4-amino-2,6-dibromo-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61284272
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089507
5-amino-2-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106897606
5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
CID 106833688
4-amino-3-nitro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106896781
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106894707) is 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide is Nc1cc(Br)c(S(=O)(=O)NCc2cccnn2)c(Br)c1.
What is the InChIKey of 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is UODPXERNELNUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O2S/c12-9-4-7(14)5-10(13)11(9)20(18,19)16-6-8-2-1-3-15-17-8/h1-5,16H,6,14H2.
What are the key properties of 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 422.10 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106894707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).