1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide

C18H15F2N3O3S — CID 71805085

IUPAC1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide
SMILESCn1nc(-c2ccccc2NS(=O)(=O)Cc2cc(F)ccc2F)ccc1=O
InChIInChI=1S/C18H15F2N3O3S/c1-23-18(24)9-8-16(21-23)14-4-2-3-5-17(14)22-27(25,26)11-12-10-13(19)6-7-15(12)20/h2-10,22H,11H2,1H3
InChIKeyPVOUIYOZIPIIDV-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.67
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide (PubChem CID 71805085) has the molecular formula C18H15F2N3O3S and a molecular weight of 391.40 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide
PubChem CID71805085
Molecular FormulaC18H15F2N3O3S
Molecular Weight391.40 g/mol
Exact Mass391.08
IUPAC Name1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide
SMILESCn1nc(-c2ccccc2NS(=O)(=O)Cc2cc(F)ccc2F)ccc1=O
InChIInChI=1S/C18H15F2N3O3S/c1-23-18(24)9-8-16(21-23)14-4-2-3-5-17(14)22-27(25,26)11-12-10-13(19)6-7-15(12)20/h2-10,22H,11H2,1H3
InChIKeyPVOUIYOZIPIIDV-UHFFFAOYSA-N
XLogP2.67
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]benzenesulfonamide
CID 178296701
US10023592, Example 480
CID 118022305
N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)methanesulfonamide
CID 16800294
N-[3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]ethane-1-sulfonamide
CID 16800295
N-(3-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)propane-1-sulfonamide
CID 18588402
N-[2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzenesulfonamide
CID 71805081
(E)-N-(2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)-2-(p-tolyl)ethenesulfonamide
CID 86264195
N-(2-(5-(2-fluorophenyl)-1-isobutyryl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)methanesulfonamide
CID 16376816
N-(5-Fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)benzene-1-sulfonamide
CID 23611819
N-(4-(5-(2-fluorophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
CID 3612727
N-(4-(5-(4-fluorophenyl)-1-propionyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl)ethanesulfonamide
CID 4529476
N-[4-[2-acetyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 4679864

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide (CID 71805085) is 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide is Cn1nc(-c2ccccc2NS(=O)(=O)Cc2cc(F)ccc2F)ccc1=O.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide?
The InChIKey is PVOUIYOZIPIIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3S/c1-23-18(24)9-8-16(21-23)14-4-2-3-5-17(14)22-27(25,26)11-12-10-13(19)6-7-15(12)20/h2-10,22H,11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide has a molecular weight of 391.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 71805085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).