N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

C9H14N4O4S — CID 38428302

IUPACN-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O4S/c1-2-18(16,17)11-6-5-10-9(15)7-3-4-8(14)13-12-7/h3-4,11H,2,5-6H2,1H3,(H,10,15)(H,13,14)
InChIKeyHZVYQSNMJJSGJP-UHFFFAOYSA-N
MW274.30 g/mol
LogP-1.56
Rot. Bonds6

About N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 38428302) has the molecular formula C9H14N4O4S and a molecular weight of 274.30 g/mol. Its IUPAC name is N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID38428302
Molecular FormulaC9H14N4O4S
Molecular Weight274.30 g/mol
Exact Mass274.07
IUPAC NameN-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCS(=O)(=O)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H14N4O4S/c1-2-18(16,17)11-6-5-10-9(15)7-3-4-8(14)13-12-7/h3-4,11H,2,5-6H2,1H3,(H,10,15)(H,13,14)
InChIKeyHZVYQSNMJJSGJP-UHFFFAOYSA-N
XLogP-1.56
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 38428302) is N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CCS(=O)(=O)NCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is HZVYQSNMJJSGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4S/c1-2-18(16,17)11-6-5-10-9(15)7-3-4-8(14)13-12-7/h3-4,11H,2,5-6H2,1H3,(H,10,15)(H,13,14).
What are the key properties of N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of -1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 38428302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).