N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

C18H14F2N4O4S — CID 55349074

IUPACN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1=O
InChIInChI=1S/C18H14F2N4O4S/c1-24-17(25)9-8-16(22-24)18(26)21-11-2-4-12(5-3-11)23-29(27,28)13-6-7-14(19)15(20)10-13/h2-10,23H,1H3,(H,21,26)
InChIKeyUVBFRYYMUUFUQA-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.11
Rot. Bonds5

About N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 55349074) has the molecular formula C18H14F2N4O4S and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID55349074
Molecular FormulaC18H14F2N4O4S
Molecular Weight420.40 g/mol
Exact Mass420.07
IUPAC NameN-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1=O
InChIInChI=1S/C18H14F2N4O4S/c1-24-17(25)9-8-16(22-24)18(26)21-11-2-4-12(5-3-11)23-29(27,28)13-6-7-14(19)15(20)10-13/h2-10,23H,1H3,(H,21,26)
InChIKeyUVBFRYYMUUFUQA-UHFFFAOYSA-N
XLogP2.11
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 24588305
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 121067088
N-(4-fluoro-3-nitrophenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 42161818
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(dimethylsulfamoyl)benzamide
CID 24636547
1-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]-6-oxopyridazine-3-carboxamide
CID 8015664
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2-fluorobenzamide
CID 55349327
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,5-difluorobenzamide
CID 55376849
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-oxo-3-propylphthalazine-1-carboxamide
CID 24636564
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-2,4-difluorobenzamide
CID 24636502
N-(4-bromophenyl)-4-[(3,4-difluorophenyl)sulfonylamino]benzamide
CID 2374061
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55719646
N-[3-[(2-methoxyphenyl)sulfamoyl]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 18775433

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 55349074) is N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)ccc1=O.
What is the InChIKey of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is UVBFRYYMUUFUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O4S/c1-24-17(25)9-8-16(22-24)18(26)21-11-2-4-12(5-3-11)23-29(27,28)13-6-7-14(19)15(20)10-13/h2-10,23H,1H3,(H,21,26).
What are the key properties of N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 55349074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).