N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C18H16FN3O3S — CID 23611819

IUPACN-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C
InChIInChI=1S/C18H16FN3O3S/c1-11-4-6-14(19)10-16(11)22-26(24,25)17-9-13(5-3-12(17)2)15-7-8-18(23)21-20-15/h3-10,22H,1-2H3,(H,21,23)
InChIKeyUYDLITCPGIQATB-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.99
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 23611819) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID23611819
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C
InChIInChI=1S/C18H16FN3O3S/c1-11-4-6-14(19)10-16(11)22-26(24,25)17-9-13(5-3-12(17)2)15-7-8-18(23)21-20-15/h3-10,22H,1-2H3,(H,21,23)
InChIKeyUYDLITCPGIQATB-UHFFFAOYSA-N
XLogP2.99
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-methyl-5-(4-oxo-3H-phthalazin-1-yl)benzenesulfonamide
CID 2929094
2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)-N-phenylbenzenesulfonamide
CID 1345082
1-(2,5-difluorophenyl)-N-(2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl)methanesulfonamide
CID 71805085
3-fluoro-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]benzenesulfonamide
CID 178296701
2-ethyl-N-(3-fluorophenyl)-5-(3-methyl-4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)benzenesulfonamide
CID 50751286
N-[2-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzenesulfonamide
CID 71805081
N-(4-fluorophenyl)-2,3-dimethyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)benzene-1-sulfonamide
CID 22586597
N-(4-Bromo-2-fluorophenyl)-2-methyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)benzene-1-sulfonamide
CID 23611789
N-(3-Chloro-4-fluorophenyl)-2-methyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)benzene-1-sulfonamide
CID 23611791
N-(2,4-difluorophenyl)-2-methyl-5-(6-oxo-1,6-dihydropyridazin-3-yl)benzene-1-sulfonamide
CID 23611808
N-(2,5-Dimethylphenyl)-2-methyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)benzene-1-sulfonamide
CID 23611833
N-(3-Fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1,6-dihydropyridazin-3-YL)benzene-1-sulfonamide
CID 23611848

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 23611819) is N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1cc(-c2ccc(=O)[nH]n2)ccc1C.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is UYDLITCPGIQATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-11-4-6-14(19)10-16(11)22-26(24,25)17-9-13(5-3-12(17)2)15-7-8-18(23)21-20-15/h3-10,22H,1-2H3,(H,21,23).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 373.41 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 23611819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).