2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide

C8H13ClN4O3S — CID 102675428

IUPAC2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C8H13ClN4O3S/c1-10-17(15,16)4-3-11-6-5-12-13(2)8(14)7(6)9/h5,10-11H,3-4H2,1-2H3
InChIKeyNCDDGLHBRXZRSD-UHFFFAOYSA-N
MW280.74 g/mol
LogP-0.61
Rot. Bonds5

About 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide

2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 102675428) has the molecular formula C8H13ClN4O3S and a molecular weight of 280.74 g/mol. Its IUPAC name is 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID102675428
Molecular FormulaC8H13ClN4O3S
Molecular Weight280.74 g/mol
Exact Mass280.04
IUPAC Name2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C8H13ClN4O3S/c1-10-17(15,16)4-3-11-6-5-12-13(2)8(14)7(6)9/h5,10-11H,3-4H2,1-2H3
InChIKeyNCDDGLHBRXZRSD-UHFFFAOYSA-N
XLogP-0.61
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.74
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide 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

2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
CID 12919579
4-chloro-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-(5-methoxypentylamino)-2-methylpyridazin-3-one
CID 113228424
4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133344208
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338048
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
CID 114417848
4-chloro-5-[2-(2,4-difluorophenyl)ethylamino]-2-methylpyridazin-3-one
CID 133302214
2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338125

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide (CID 102675428) is 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is NCDDGLHBRXZRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4O3S/c1-10-17(15,16)4-3-11-6-5-12-13(2)8(14)7(6)9/h5,10-11H,3-4H2,1-2H3.
What are the key properties of 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide?
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 280.74 g/mol, XLogP of -0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 102675428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).