N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

C20H19FN4O4S — CID 3224414

IUPACN-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C20H19FN4O4S/c1-24(2)30(28,29)17-9-7-16(8-10-17)22-19(26)13-25-20(27)12-11-18(23-25)14-3-5-15(21)6-4-14/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyBHZDZNNMNAYMCS-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.94
Rot. Bonds6

About N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide

N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 3224414) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
PubChem CID3224414
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC NameN-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1
InChIInChI=1S/C20H19FN4O4S/c1-24(2)30(28,29)17-9-7-16(8-10-17)22-19(26)13-25-20(27)12-11-18(23-25)14-3-5-15(21)6-4-14/h3-12H,13H2,1-2H3,(H,22,26)
InChIKeyBHZDZNNMNAYMCS-UHFFFAOYSA-N
XLogP1.94
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-1-oxophthalazin-2(1H)-yl)-N-(4-sulfamoylphenyl)acetamide
CID 1122989
2-[(2-fluorophenyl)methyl-methylamino]-N-(4-sulfamoylphenyl)acetamide
CID 2442131
2-[ethyl-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4969285
(2-ethyl-3-oxo-5,6-diphenyl(2-hydropyridazin-4-yl))-N-(4-sulfamoylphenyl)carbo xamide
CID 16014587
2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 16196856
6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one
CID 54612980
4-[3-(4-Iodophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
CID 127027656
4-[6-Oxo-3-(4-propylphenyl)pyridazin-1-yl]benzenesulfonamide
CID 127027735
4-[3-(3,4-Difluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
CID 127027978
4-[3-(4-Fluorophenyl)-6-oxopyridazin-1-yl]benzenesulfonamide
CID 127029514
4-{5-(4-fluorophenyl)-2-oxo-3-[(4-sulfamoylphenyl)amino]-2,5-dihydro-1H-pyrrol-1-yl}benzenesulfonamide
CID 3260481
2-[3-(4-Fluoro-phenyl)-6-oxo-6H-pyridazin-1-yl]-N-(4-isobutylsulfamoyl-phenyl)-acetamide
CID 3224413

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The IUPAC name of N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide (CID 3224414) is N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide.
What is the SMILES notation for N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The canonical SMILES for N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1.
What is the InChIKey of N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
The InChIKey is BHZDZNNMNAYMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c1-24(2)30(28,29)17-9-7-16(8-10-17)22-19(26)13-25-20(27)12-11-18(23-25)14-3-5-15(21)6-4-14/h3-12H,13H2,1-2H3,(H,22,26).
What are the key properties of N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide?
N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 430.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylsulfamoyl)phenyl]-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 3224414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).