N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide

C11H19ClN4O3S — CID 114433515

IUPACN-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
SMILESCC(C)Cn1ncc(NCCNS(C)(=O)=O)c(Cl)c1=O
InChIInChI=1S/C11H19ClN4O3S/c1-8(2)7-16-11(17)10(12)9(6-14-16)13-4-5-15-20(3,18)19/h6,8,13,15H,4-5,7H2,1-3H3
InChIKeyFGEIWNCQGCGFII-UHFFFAOYSA-N
MW322.82 g/mol
LogP0.51
Rot. Bonds7

About N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 114433515) has the molecular formula C11H19ClN4O3S and a molecular weight of 322.82 g/mol. Its IUPAC name is N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID114433515
Molecular FormulaC11H19ClN4O3S
Molecular Weight322.82 g/mol
Exact Mass322.09
IUPAC NameN-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
SMILESCC(C)Cn1ncc(NCCNS(C)(=O)=O)c(Cl)c1=O
InChIInChI=1S/C11H19ClN4O3S/c1-8(2)7-16-11(17)10(12)9(6-14-16)13-4-5-15-20(3,18)19/h6,8,13,15H,4-5,7H2,1-3H3
InChIKeyFGEIWNCQGCGFII-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114444576
N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433518
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114436398
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434114
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114432842

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide (CID 114433515) is N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide is CC(C)Cn1ncc(NCCNS(C)(=O)=O)c(Cl)c1=O.
What is the InChIKey of N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is FGEIWNCQGCGFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O3S/c1-8(2)7-16-11(17)10(12)9(6-14-16)13-4-5-15-20(3,18)19/h6,8,13,15H,4-5,7H2,1-3H3.
What are the key properties of N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 322.82 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 114433515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).