N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

C12H14N4O4S — CID 61258347

IUPACN-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H14N4O4S/c1-13-21(19,20)10-5-3-2-4-8(10)14-12(18)9-6-7-11(17)16-15-9/h2-5,13H,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyLNCCNHWTKWVADM-UHFFFAOYSA-N
MW310.34 g/mol
LogP-0.20
Rot. Bonds4

About N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide

N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 61258347) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID61258347
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC NameN-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCNS(=O)(=O)c1ccccc1NC(=O)C1=NNC(=O)CC1
InChIInChI=1S/C12H14N4O4S/c1-13-21(19,20)10-5-3-2-4-8(10)14-12(18)9-6-7-11(17)16-15-9/h2-5,13H,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyLNCCNHWTKWVADM-UHFFFAOYSA-N
XLogP-0.20
TPSA116.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60638334
2-[2-[(6-oxo-4,5-dihydro-1H-pyridazine-3-carbonyl)amino]phenyl]acetic acid
CID 62536488
N-(2-fluoro-3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 113351750
6-oxo-N-(2-pyrazol-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61276124
6-oxo-N-[2-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43402110
N-(2,6-dimethylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397568
6-oxo-N-(2-prop-2-enylsulfanylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60659704
2-fluoro-N-[2-(methylsulfamoyl)phenyl]benzamide
CID 61042650
N-naphthalen-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3328290
6-oxo-N-(2-pyrazol-1-yl-3-pyridinyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 61258857
2-bromo-N-[2-(methylsulfamoyl)phenyl]propanamide
CID 107903498
N-(5-bromo-2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43582884

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 61258347) is N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CNS(=O)(=O)c1ccccc1NC(=O)C1=NNC(=O)CC1.
What is the InChIKey of N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is LNCCNHWTKWVADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-13-21(19,20)10-5-3-2-4-8(10)14-12(18)9-6-7-11(17)16-15-9/h2-5,13H,6-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide has a molecular weight of 310.34 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 61258347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).