2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide

C10H17ClN4O3S — CID 133292970

IUPAC2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O3S/c1-3-15(4-2)19(17,18)6-5-12-8-7-13-14-10(16)9(8)11/h7H,3-6H2,1-2H3,(H2,12,14,16)
InChIKeyIISIMIRYFZKNBT-UHFFFAOYSA-N
MW308.79 g/mol
LogP0.51
Rot. Bonds7

About 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide

2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide (PubChem CID 133292970) has the molecular formula C10H17ClN4O3S and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide
PubChem CID133292970
Molecular FormulaC10H17ClN4O3S
Molecular Weight308.79 g/mol
Exact Mass308.07
IUPAC Name2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide
SMILESCCN(CC)S(=O)(=O)CCNc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C10H17ClN4O3S/c1-3-15(4-2)19(17,18)6-5-12-8-7-13-14-10(16)9(8)11/h7H,3-6H2,1-2H3,(H2,12,14,16)
InChIKeyIISIMIRYFZKNBT-UHFFFAOYSA-N
XLogP0.51
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide (CID 133292970) is 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide is CCN(CC)S(=O)(=O)CCNc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide?
The InChIKey is IISIMIRYFZKNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O3S/c1-3-15(4-2)19(17,18)6-5-12-8-7-13-14-10(16)9(8)11/h7H,3-6H2,1-2H3,(H2,12,14,16).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide?
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide has a molecular weight of 308.79 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide is sourced from PubChem (CID 133292970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).