N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

C18H17FN4O4S2 — CID 55633712

IUPACN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C18H17FN4O4S2/c1-22(2)29(26,27)17-10-7-14(28-17)11-20-18(25)15-8-9-16(24)23(21-15)13-5-3-12(19)4-6-13/h3-10H,11H2,1-2H3,(H,20,25)
InChIKeyHEXAWFIDIPMGSB-UHFFFAOYSA-N
MW436.49 g/mol
LogP1.61
Rot. Bonds6

About N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide

N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 55633712) has the molecular formula C18H17FN4O4S2 and a molecular weight of 436.49 g/mol. Its IUPAC name is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
PubChem CID55633712
Molecular FormulaC18H17FN4O4S2
Molecular Weight436.49 g/mol
Exact Mass436.07
IUPAC NameN-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)s1
InChIInChI=1S/C18H17FN4O4S2/c1-22(2)29(26,27)17-10-7-14(28-17)11-20-18(25)15-8-9-16(24)23(21-15)13-5-3-12(19)4-6-13/h3-10H,11H2,1-2H3,(H,20,25)
InChIKeyHEXAWFIDIPMGSB-UHFFFAOYSA-N
XLogP1.61
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide (CID 55633712) is N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is CN(C)S(=O)(=O)c1ccc(CNC(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)s1.
What is the InChIKey of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is HEXAWFIDIPMGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4S2/c1-22(2)29(26,27)17-10-7-14(28-17)11-20-18(25)15-8-9-16(24)23(21-15)13-5-3-12(19)4-6-13/h3-10H,11H2,1-2H3,(H,20,25).
What are the key properties of N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide?
N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55633712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).