N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

C19H19FN4O5S — CID 17422707

IUPACN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O5S/c1-24-18(25)10-8-15(22-24)19(26)21-13-5-9-17(29-2)16(11-13)23-30(27,28)14-6-3-12(20)4-7-14/h3-7,9,11,23H,8,10H2,1-2H3,(H,21,26)
InChIKeyJYVUEJRFQQGPIS-UHFFFAOYSA-N
MW434.45 g/mol
LogP2.18
Rot. Bonds6

About N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 17422707) has the molecular formula C19H19FN4O5S and a molecular weight of 434.45 g/mol. Its IUPAC name is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID17422707
Molecular FormulaC19H19FN4O5S
Molecular Weight434.45 g/mol
Exact Mass434.11
IUPAC NameN-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C19H19FN4O5S/c1-24-18(25)10-8-15(22-24)19(26)21-13-5-9-17(29-2)16(11-13)23-30(27,28)14-6-3-12(20)4-7-14/h3-7,9,11,23H,8,10H2,1-2H3,(H,21,26)
InChIKeyJYVUEJRFQQGPIS-UHFFFAOYSA-N
XLogP2.18
TPSA117.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]pyridine-2-carboxamide
CID 7908354
5-fluoro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbenzamide
CID 34092220
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 2496757
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 31801001
2-(4-fluorophenyl)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 34091807
4-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-3-methoxybenzamide
CID 31307715
1-cyclopropyl-3-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]thiourea
CID 8603844
(2R)-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-2-methylbutanamide
CID 30291890
2,2-dichloro-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004633
4-fluoro-N-[2-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyanilino]-2-oxoethyl]benzamide
CID 37041042
4-fluoro-N-[5-(methanesulfonamido)-2-methoxyphenyl]benzenesulfonamide
CID 8903058
3-ethoxy-N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-4-propoxybenzamide
CID 4850610

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 17422707) is N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is COc1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is JYVUEJRFQQGPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O5S/c1-24-18(25)10-8-15(22-24)19(26)21-13-5-9-17(29-2)16(11-13)23-30(27,28)14-6-3-12(20)4-7-14/h3-7,9,11,23H,8,10H2,1-2H3,(H,21,26).
What are the key properties of N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-fluorophenyl)sulfonylamino]-4-methoxyphenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 17422707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).