2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

C18H18BrN5O2S — CID 122322139

IUPAC2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCN(C)c1cnnc(Nc2ccc(NS(=O)(=O)c3ccccc3Br)cc2)c1
InChIInChI=1S/C18H18BrN5O2S/c1-24(2)15-11-18(22-20-12-15)21-13-7-9-14(10-8-13)23-27(25,26)17-6-4-3-5-16(17)19/h3-12,23H,1-2H3,(H,21,22)
InChIKeyJJZLNRQFEHTIDC-UHFFFAOYSA-N
MW448.35 g/mol
LogP3.85
Rot. Bonds6

About 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide

2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (PubChem CID 122322139) has the molecular formula C18H18BrN5O2S and a molecular weight of 448.35 g/mol. Its IUPAC name is 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
PubChem CID122322139
Molecular FormulaC18H18BrN5O2S
Molecular Weight448.35 g/mol
Exact Mass447.04
IUPAC Name2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
SMILESCN(C)c1cnnc(Nc2ccc(NS(=O)(=O)c3ccccc3Br)cc2)c1
InChIInChI=1S/C18H18BrN5O2S/c1-24(2)15-11-18(22-20-12-15)21-13-7-9-14(10-8-13)23-27(25,26)17-6-4-3-5-16(17)19/h3-12,23H,1-2H3,(H,21,22)
InChIKeyJJZLNRQFEHTIDC-UHFFFAOYSA-N
XLogP3.85
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122321888
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-4-nitrobenzenesulfonamide
CID 122322166
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 122321878
N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122322136
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 122322126
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
2-bromo-N-(4-tert-butylphenyl)benzenesulfonamide
CID 3263186
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-methylbenzamide
CID 122321800
1-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-3-(4-fluorophenyl)urea
CID 122321847
2-bromo-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290773
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 122321946
N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]indolizine-2-carboxamide
CID 122322054

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide (CID 122322139) is 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is CN(C)c1cnnc(Nc2ccc(NS(=O)(=O)c3ccccc3Br)cc2)c1.
What is the InChIKey of 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
The InChIKey is JJZLNRQFEHTIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN5O2S/c1-24(2)15-11-18(22-20-12-15)21-13-7-9-14(10-8-13)23-27(25,26)17-6-4-3-5-16(17)19/h3-12,23H,1-2H3,(H,21,22).
What are the key properties of 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide?
2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide has a molecular weight of 448.35 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 122322139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).