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

C12H14N4O4S — CID 60638334

IUPACN-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C12H14N4O4S/c1-13-21(19,20)9-4-2-8(3-5-9)14-12(18)10-6-7-11(17)16-15-10/h2-5,13H,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeySOYGGIIPYWACAN-UHFFFAOYSA-N
MW310.34 g/mol
LogP-0.20
Rot. Bonds4

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

N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (PubChem CID 60638334) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
PubChem CID60638334
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC NameN-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1
InChIInChI=1S/C12H14N4O4S/c1-13-21(19,20)9-4-2-8(3-5-9)14-12(18)10-6-7-11(17)16-15-10/h2-5,13H,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeySOYGGIIPYWACAN-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-cyclopentylsulfonylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110793132
N-(3-bromo-4-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60730194
N-(3-methylphenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43397609
N-naphthalen-2-yl-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 3328290
N-(3-chloro-4-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 4539970
N-[4-(1H-imidazol-5-yl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60666303
N-[4-(methylsulfamoyl)phenyl]-2H-triazole-4-carboxamide
CID 78969284
6-oxo-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60753916
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 43400509
5-bromo-N-[4-(methylsulfamoyl)phenyl]furan-2-carboxamide
CID 2989629
6-fluoro-N-[4-(methylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 115497288

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide (CID 60638334) is N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is CNS(=O)(=O)c1ccc(NC(=O)C2=NNC(=O)CC2)cc1.
What is the InChIKey of N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
The InChIKey is SOYGGIIPYWACAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-13-21(19,20)9-4-2-8(3-5-9)14-12(18)10-6-7-11(17)16-15-10/h2-5,13H,6-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of N-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide?
N-[4-(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-[4-(methylsulfamoyl)phenyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 60638334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).