3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide

C13H15BrN4O3S — CID 133303380

IUPAC3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2cnn(C)c(=O)c2Br)c1
InChIInChI=1S/C13H15BrN4O3S/c1-15-22(20,21)10-5-3-4-9(6-10)7-16-11-8-17-18(2)13(19)12(11)14/h3-6,8,15-16H,7H2,1-2H3
InChIKeyUNBYWJZYIUAHTC-UHFFFAOYSA-N
MW387.26 g/mol
LogP1.06
Rot. Bonds5

About 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide

3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide (PubChem CID 133303380) has the molecular formula C13H15BrN4O3S and a molecular weight of 387.26 g/mol. Its IUPAC name is 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
PubChem CID133303380
Molecular FormulaC13H15BrN4O3S
Molecular Weight387.26 g/mol
Exact Mass386.00
IUPAC Name3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(CNc2cnn(C)c(=O)c2Br)c1
InChIInChI=1S/C13H15BrN4O3S/c1-15-22(20,21)10-5-3-4-9(6-10)7-16-11-8-17-18(2)13(19)12(11)14/h3-6,8,15-16H,7H2,1-2H3
InChIKeyUNBYWJZYIUAHTC-UHFFFAOYSA-N
XLogP1.06
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one
CID 133303721
4-bromo-5-[[3-[[ethyl(methyl)amino]methyl]phenyl]methylamino]-2-methylpyridazin-3-one
CID 133303737
1-[3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]phenyl]-3-(3-methylphenyl)urea
CID 133303650
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125
4-bromo-2-methyl-5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyridazin-3-one
CID 133303303
N-[3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133303678
methyl 5-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-2-methoxybenzoate
CID 133303243
3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]-N-methylbenzenesulfonamide
CID 133373833
3-[(2-bromo-4-nitroanilino)methyl]-N-methylbenzenesulfonamide
CID 133310845
4-bromo-2-methyl-5-[(4-propan-2-yloxyphenyl)methylamino]pyridazin-3-one
CID 133303288
4-bromo-5-[(3-fluorophenyl)methylamino]-2-propylpyridazin-3-one
CID 114432815
4-bromo-2-methyl-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 115624220

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide (CID 133303380) is 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc(CNc2cnn(C)c(=O)c2Br)c1.
What is the InChIKey of 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
The InChIKey is UNBYWJZYIUAHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O3S/c1-15-22(20,21)10-5-3-4-9(6-10)7-16-11-8-17-18(2)13(19)12(11)14/h3-6,8,15-16H,7H2,1-2H3.
What are the key properties of 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide?
3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide has a molecular weight of 387.26 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 133303380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).