2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide

C11H19ClN4O3S — CID 106338125

IUPAC2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cnn(C(C)C)c(=O)c1Cl
InChIInChI=1S/C11H19ClN4O3S/c1-4-15-20(18,19)6-5-13-9-7-14-16(8(2)3)11(17)10(9)12/h7-8,13,15H,4-6H2,1-3H3
InChIKeyLGEZHNJENRHSLW-UHFFFAOYSA-N
MW322.82 g/mol
LogP0.83
Rot. Bonds7

About 2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide

2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide (PubChem CID 106338125) has the molecular formula C11H19ClN4O3S and a molecular weight of 322.82 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide
PubChem CID106338125
Molecular FormulaC11H19ClN4O3S
Molecular Weight322.82 g/mol
Exact Mass322.09
IUPAC Name2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1cnn(C(C)C)c(=O)c1Cl
InChIInChI=1S/C11H19ClN4O3S/c1-4-15-20(18,19)6-5-13-9-7-14-16(8(2)3)11(17)10(9)12/h7-8,13,15H,4-6H2,1-3H3
InChIKeyLGEZHNJENRHSLW-UHFFFAOYSA-N
XLogP0.83
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338048
5-(butylamino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432150
4-chloro-5-(2-methylpropylamino)-2-propan-2-ylpyridazin-3-one
CID 114431553
5-[(2-amino-2-ethylbutyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114446774
5-[[(E)-4-aminobut-2-enyl]amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114447233
4-chloro-2-propan-2-yl-5-(2-prop-2-enoxyethylamino)pyridazin-3-one
CID 114264802
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 102675428
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
5-[(4-bromophenyl)methylamino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432680
4-chloro-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 106403998
4-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114434377
4-chloro-5-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-propan-2-ylpyridazin-3-one
CID 114440791

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide (CID 106338125) is 2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1cnn(C(C)C)c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide?
The InChIKey is LGEZHNJENRHSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O3S/c1-4-15-20(18,19)6-5-13-9-7-14-16(8(2)3)11(17)10(9)12/h7-8,13,15H,4-6H2,1-3H3.
What are the key properties of 2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide?
2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 0.83, 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-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106338125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).