4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide

C11H11BrN4O3S — CID 115576944

IUPAC4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cn[nH]c(=O)c2Br)cc1
InChIInChI=1S/C11H11BrN4O3S/c12-10-9(6-15-16-11(10)17)14-5-7-1-3-8(4-2-7)20(13,18)19/h1-4,6H,5H2,(H2,13,18,19)(H2,14,16,17)
InChIKeyPOLQQUVRCBFVOB-UHFFFAOYSA-N
MW359.21 g/mol
LogP0.79
Rot. Bonds4

About 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide

4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide (PubChem CID 115576944) has the molecular formula C11H11BrN4O3S and a molecular weight of 359.21 g/mol. Its IUPAC name is 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide
PubChem CID115576944
Molecular FormulaC11H11BrN4O3S
Molecular Weight359.21 g/mol
Exact Mass357.97
IUPAC Name4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2cn[nH]c(=O)c2Br)cc1
InChIInChI=1S/C11H11BrN4O3S/c12-10-9(6-15-16-11(10)17)14-5-7-1-3-8(4-2-7)20(13,18)19/h1-4,6H,5H2,(H2,13,18,19)(H2,14,16,17)
InChIKeyPOLQQUVRCBFVOB-UHFFFAOYSA-N
XLogP0.79
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide with MolForge

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Related Compounds

5-bromo-4-[(6-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 113220323
4-[(4-bromophenyl)methylamino]-5-chloro-1H-pyridazin-6-one
CID 78948051
4-[[(6-bromo-2-pyridinyl)amino]methyl]benzenesulfonamide
CID 106192569
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-[(bromomethylsulfonylamino)methyl]benzenesulfonamide
CID 83092326
5-chloro-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyridazin-6-one
CID 78970910
5-bromo-4-(5-hydroxypentylamino)-1H-pyridazin-6-one
CID 107318148
4-[(4-sulfamoylphenyl)methylamino]benzenecarbothioamide
CID 29295496
methyl 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114385913
4-[[(5-bromothieno[2,3-d]pyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 156539093
5-bromo-4-[(3-hydroxy-2-methylpropyl)amino]-1H-pyridazin-6-one
CID 114386142
4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
CID 82907394

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide (CID 115576944) is 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CNc2cn[nH]c(=O)c2Br)cc1.
What is the InChIKey of 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide?
The InChIKey is POLQQUVRCBFVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O3S/c12-10-9(6-15-16-11(10)17)14-5-7-1-3-8(4-2-7)20(13,18)19/h1-4,6H,5H2,(H2,13,18,19)(H2,14,16,17).
What are the key properties of 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide?
4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide has a molecular weight of 359.21 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 115576944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).