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

C15H18N4O4S — CID 9415955

IUPACN-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C15H18N4O4S/c1-3-19(4-2)24(22,23)12-7-5-11(6-8-12)16-15(21)13-9-10-14(20)18-17-13/h5-10H,3-4H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyYTASFHJPJXFXDE-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.05
Rot. Bonds6

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

N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (PubChem CID 9415955) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
PubChem CID9415955
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1
InChIInChI=1S/C15H18N4O4S/c1-3-19(4-2)24(22,23)12-7-5-11(6-8-12)16-15(21)13-9-10-14(20)18-17-13/h5-10H,3-4H2,1-2H3,(H,16,21)(H,18,20)
InChIKeyYTASFHJPJXFXDE-UHFFFAOYSA-N
XLogP1.05
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 29356996
4-(diethylsulfamoyl)-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 2081481
N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 730591
N-(4-acetamidophenyl)-4-(diethylsulfamoyl)benzamide
CID 7940158
2-bromo-N-[4-(diethylsulfamoyl)phenyl]acetamide
CID 46736589
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-(5-ethylsulfonyl-2-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46523475
4-[[4-(diethylsulfamoyl)benzoyl]amino]-N,N-dimethylbenzamide
CID 8698718
6-oxo-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]-1H-pyridazine-3-carboxamide
CID 37203450
2-bromo-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1303320
N-tert-butyl-4-[[4-(diethylsulfamoyl)benzoyl]amino]benzamide
CID 38253660
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide (CID 9415955) is N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
The InChIKey is YTASFHJPJXFXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-3-19(4-2)24(22,23)12-7-5-11(6-8-12)16-15(21)13-9-10-14(20)18-17-13/h5-10H,3-4H2,1-2H3,(H,16,21)(H,18,20).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide?
N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide has a molecular weight of 350.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 9415955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).