2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C12H11Br2N3O2S — CID 106833668

IUPAC2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCc2cccnn2)cc1Br
InChIInChI=1S/C12H11Br2N3O2S/c1-8-5-11(14)12(6-10(8)13)20(18,19)16-7-9-3-2-4-15-17-9/h2-6,16H,7H2,1H3
InChIKeyWRLYBQAOWRDWFX-UHFFFAOYSA-N
MW421.11 g/mol
LogP2.79
Rot. Bonds4

About 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide

2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106833668) has the molecular formula C12H11Br2N3O2S and a molecular weight of 421.11 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106833668
Molecular FormulaC12H11Br2N3O2S
Molecular Weight421.11 g/mol
Exact Mass418.89
IUPAC Name2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)NCc2cccnn2)cc1Br
InChIInChI=1S/C12H11Br2N3O2S/c1-8-5-11(14)12(6-10(8)13)20(18,19)16-7-9-3-2-4-15-17-9/h2-6,16H,7H2,1H3
InChIKeyWRLYBQAOWRDWFX-UHFFFAOYSA-N
XLogP2.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089507
5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
CID 106833688
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
3-methyl-4-(pyridazin-3-ylmethylsulfamoyl)benzenecarbothioamide
CID 106998653
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523
5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894675
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 106831690
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682
2,5-dibromo-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methylbenzenesulfonamide
CID 103768324
2,5-dibromo-4-methyl-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 80712268
N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
CID 50876820

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106833668) is 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)NCc2cccnn2)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is WRLYBQAOWRDWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2S/c1-8-5-11(14)12(6-10(8)13)20(18,19)16-7-9-3-2-4-15-17-9/h2-6,16H,7H2,1H3.
What are the key properties of 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 421.11 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106833668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).