2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide

C10H17ClN4O3S — CID 106337789

IUPAC2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
SMILESCCCn1ncc(NCCS(=O)(=O)NC)c(Cl)c1=O
InChIInChI=1S/C10H17ClN4O3S/c1-3-5-15-10(16)9(11)8(7-14-15)13-4-6-19(17,18)12-2/h7,12-13H,3-6H2,1-2H3
InChIKeyOSYXZWZFVWAQOW-UHFFFAOYSA-N
MW308.79 g/mol
LogP0.27
Rot. Bonds7

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

2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 106337789) has the molecular formula C10H17ClN4O3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID106337789
Molecular FormulaC10H17ClN4O3S
Molecular Weight308.79 g/mol
Exact Mass308.07
IUPAC Name2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
SMILESCCCn1ncc(NCCS(=O)(=O)NC)c(Cl)c1=O
InChIInChI=1S/C10H17ClN4O3S/c1-3-5-15-10(16)9(11)8(7-14-15)13-4-6-19(17,18)12-2/h7,12-13H,3-6H2,1-2H3
InChIKeyOSYXZWZFVWAQOW-UHFFFAOYSA-N
XLogP0.27
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 102675428
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338048
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one
CID 114432838
4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
CID 103007686
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide (CID 106337789) is 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide is CCCn1ncc(NCCS(=O)(=O)NC)c(Cl)c1=O.
What is the InChIKey of 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is OSYXZWZFVWAQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O3S/c1-3-5-15-10(16)9(11)8(7-14-15)13-4-6-19(17,18)12-2/h7,12-13H,3-6H2,1-2H3.
What are the key properties of 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide?
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 308.79 g/mol, XLogP of 0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106337789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).