N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide

C16H20N4O4S — CID 29356996

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1C
InChIInChI=1S/C16H20N4O4S/c1-4-20(5-2)25(23,24)14-10-12(7-6-11(14)3)17-16(22)13-8-9-15(21)19-18-13/h6-10H,4-5H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyVURXYIMDBPIZEG-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.36
Rot. Bonds6

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 29356996) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID29356996
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1C
InChIInChI=1S/C16H20N4O4S/c1-4-20(5-2)25(23,24)14-10-12(7-6-11(14)3)17-16(22)13-8-9-15(21)19-18-13/h6-10H,4-5H2,1-3H3,(H,17,22)(H,19,21)
InChIKeyVURXYIMDBPIZEG-UHFFFAOYSA-N
XLogP1.36
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 9415955
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 4840413
ethyl 6-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55631526
4-[[3-(diethylsulfamoyl)-4-methylphenyl]carbamoyl]benzoic acid
CID 45337189
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylbenzamide
CID 7929076
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-phenylpyrazole-3-carboxamide
CID 39898710
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2,5-dimethylfuran-3-carboxamide
CID 26521292
N-(4-ethoxy-3-methylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 47416715
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2H-triazole-4-carboxamide
CID 112733206
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1H-indazole-7-carboxamide
CID 36771575
2-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]benzamide
CID 119943661
N-[3-(diethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethyl)benzamide
CID 7688995

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 29356996) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(=O)[nH]n2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is VURXYIMDBPIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-4-20(5-2)25(23,24)14-10-12(7-6-11(14)3)17-16(22)13-8-9-15(21)19-18-13/h6-10H,4-5H2,1-3H3,(H,17,22)(H,19,21).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 364.43 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 29356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).