2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

C13H15BrN4O2S — CID 106089507

IUPAC2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(Br)c(S(=O)(=O)NCc2cccnn2)c1
InChIInChI=1S/C13H15BrN4O2S/c1-15-8-10-4-5-12(14)13(7-10)21(19,20)17-9-11-3-2-6-16-18-11/h2-7,15,17H,8-9H2,1H3
InChIKeyYEFHHKQKDBXASH-UHFFFAOYSA-N
MW371.26 g/mol
LogP1.44
Rot. Bonds6

About 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide

2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (PubChem CID 106089507) has the molecular formula C13H15BrN4O2S and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
PubChem CID106089507
Molecular FormulaC13H15BrN4O2S
Molecular Weight371.26 g/mol
Exact Mass370.01
IUPAC Name2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
SMILESCNCc1ccc(Br)c(S(=O)(=O)NCc2cccnn2)c1
InChIInChI=1S/C13H15BrN4O2S/c1-15-8-10-4-5-12(14)13(7-10)21(19,20)17-9-11-3-2-6-16-18-11/h2-7,15,17H,8-9H2,1H3
InChIKeyYEFHHKQKDBXASH-UHFFFAOYSA-N
XLogP1.44
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833668
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523
5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)pyridine-2-sulfonamide
CID 106089544
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
CID 106833688
4-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089546
5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894675
2-bromo-5-(methylaminomethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063664
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
2-[4-methoxy-3-(pyridazin-3-ylmethylsulfamoyl)phenyl]acetic acid
CID 154840794
2-bromo-N-(2-ethoxyethyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106019809

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide (CID 106089507) is 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is CNCc1ccc(Br)c(S(=O)(=O)NCc2cccnn2)c1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
The InChIKey is YEFHHKQKDBXASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O2S/c1-15-8-10-4-5-12(14)13(7-10)21(19,20)17-9-11-3-2-6-16-18-11/h2-7,15,17H,8-9H2,1H3.
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide?
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide has a molecular weight of 371.26 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106089507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).