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

C8H12N4O4S — CID 102685093

IUPACN-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O4S/c1-9-17(15,16)5-4-10-8(14)6-2-3-7(13)12-11-6/h2-3,9H,4-5H2,1H3,(H,10,14)(H,12,13)
InChIKeyLOJRBGWKNKLXRD-UHFFFAOYSA-N
MW260.27 g/mol
LogP-1.95
Rot. Bonds5

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

N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 102685093) has the molecular formula C8H12N4O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID102685093
Molecular FormulaC8H12N4O4S
Molecular Weight260.27 g/mol
Exact Mass260.06
IUPAC NameN-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCNS(=O)(=O)CCNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H12N4O4S/c1-9-17(15,16)5-4-10-8(14)6-2-3-7(13)12-11-6/h2-3,9H,4-5H2,1H3,(H,10,14)(H,12,13)
InChIKeyLOJRBGWKNKLXRD-UHFFFAOYSA-N
XLogP-1.95
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(butylsulfonylamino)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108573570
N-(3-amino-3-oxopropyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103710654
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
6-oxo-N-(3-pyrrol-1-ylpropyl)-1H-pyridazine-3-carboxamide
CID 90500511
6-fluoro-N-[2-(methylsulfamoyl)ethyl]pyridine-2-carboxamide
CID 102685114
6-oxo-N-[2-[(2-phenylacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
CID 108539979
2-hydroxy-4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]butanoic acid
CID 107832681
11-[(6-oxo-1H-pyridazine-3-carbonyl)amino]undecanoic acid
CID 108793495
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742816
N-[2-[(4-acetamidobenzoyl)amino]ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 121054133
6-oxo-N-[2-(2,4,5-trimethylphenyl)ethyl]-1H-pyridazine-3-carboxamide
CID 110795749
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 110742902

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 102685093) is N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is CNS(=O)(=O)CCNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is LOJRBGWKNKLXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S/c1-9-17(15,16)5-4-10-8(14)6-2-3-7(13)12-11-6/h2-3,9H,4-5H2,1H3,(H,10,14)(H,12,13).
What are the key properties of N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 260.27 g/mol, XLogP of -1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)ethyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 102685093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).