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

C11H18N4O4S — CID 108573570

IUPACN-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCCS(=O)(=O)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H18N4O4S/c1-2-3-8-20(18,19)13-7-6-12-11(17)9-4-5-10(16)15-14-9/h4-5,13H,2-3,6-8H2,1H3,(H,12,17)(H,15,16)
InChIKeyHFAJXMWLACSBTN-UHFFFAOYSA-N
MW302.36 g/mol
LogP-0.78
Rot. Bonds8

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

N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 108573570) has the molecular formula C11H18N4O4S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID108573570
Molecular FormulaC11H18N4O4S
Molecular Weight302.36 g/mol
Exact Mass302.10
IUPAC NameN-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCCCS(=O)(=O)NCCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H18N4O4S/c1-2-3-8-20(18,19)13-7-6-12-11(17)9-4-5-10(16)15-14-9/h4-5,13H,2-3,6-8H2,1H3,(H,12,17)(H,15,16)
InChIKeyHFAJXMWLACSBTN-UHFFFAOYSA-N
XLogP-0.78
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 5-0.78
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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Related Compounds

N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 102685093
N-[(4-butylphenyl)methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110793511
N-[2-(butylsulfonylamino)ethyl]-2-hydroxybenzamide
CID 108571675
6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121054133
N-[2-(butylsulfonylamino)ethyl]-3-hydroxybenzamide
CID 108575021
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 108573570) is N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CCCCS(=O)(=O)NCCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is HFAJXMWLACSBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4S/c1-2-3-8-20(18,19)13-7-6-12-11(17)9-4-5-10(16)15-14-9/h4-5,13H,2-3,6-8H2,1H3,(H,12,17)(H,15,16).
What are the key properties of N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 302.36 g/mol, XLogP of -0.78, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108573570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).