N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C18H16FN3O3S — CID 23611848

IUPACN-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1F
InChIInChI=1S/C18H16FN3O3S/c1-11-4-6-14(10-15(11)19)22-26(24,25)17-9-13(5-3-12(17)2)16-7-8-18(23)21-20-16/h3-10,22H,1-2H3,(H,21,23)
InChIKeyHVBUTHABKBKWPU-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.99
Rot. Bonds4

About N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 23611848) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID23611848
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1F
InChIInChI=1S/C18H16FN3O3S/c1-11-4-6-14(10-15(11)19)22-26(24,25)17-9-13(5-3-12(17)2)16-7-8-18(23)21-20-16/h3-10,22H,1-2H3,(H,21,23)
InChIKeyHVBUTHABKBKWPU-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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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 23611848) is N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is HVBUTHABKBKWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-11-4-6-14(10-15(11)19)22-26(24,25)17-9-13(5-3-12(17)2)16-7-8-18(23)21-20-16/h3-10,22H,1-2H3,(H,21,23).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
N-(3-fluoro-4-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-(3-fluoro-4-methylphenyl)-2-methyl-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 23611848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).