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

C11H20ClN5O3S — CID 106337817

IUPAC2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C11H20ClN5O3S/c1-13-21(19,20)7-4-14-9-8-15-17(6-5-16(2)3)11(18)10(9)12/h8,13-14H,4-7H2,1-3H3
InChIKeyQRKUIKAXEZTKGR-UHFFFAOYSA-N
MW337.83 g/mol
LogP-0.58
Rot. Bonds8

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

2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide (PubChem CID 106337817) has the molecular formula C11H20ClN5O3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
PubChem CID106337817
Molecular FormulaC11H20ClN5O3S
Molecular Weight337.83 g/mol
Exact Mass337.10
IUPAC Name2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1cnn(CCN(C)C)c(=O)c1Cl
InChIInChI=1S/C11H20ClN5O3S/c1-13-21(19,20)7-4-14-9-8-15-17(6-5-16(2)3)11(18)10(9)12/h8,13-14H,4-7H2,1-3H3
InChIKeyQRKUIKAXEZTKGR-UHFFFAOYSA-N
XLogP-0.58
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide with MolForge

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Related Compounds

2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433518
4-chloro-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114436664
5-(but-3-ynylamino)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114438445
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 102675428
3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114436512
4-chloro-2-[2-(dimethylamino)ethyl]-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444114
4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide
CID 114433901
4-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114442315
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441286

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide (CID 106337817) is 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1cnn(CCN(C)C)c(=O)c1Cl.
What is the InChIKey of 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide?
The InChIKey is QRKUIKAXEZTKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O3S/c1-13-21(19,20)7-4-14-9-8-15-17(6-5-16(2)3)11(18)10(9)12/h8,13-14H,4-7H2,1-3H3.
What are the key properties of 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide?
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide has a molecular weight of 337.83 g/mol, XLogP of -0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide is sourced from PubChem (CID 106337817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).