3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide

C18H14FN3O3S — CID 27452337

IUPAC3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)nn1
InChIInChI=1S/C18H14FN3O3S/c1-26(24,25)17-10-9-16(21-22-17)12-5-7-15(8-6-12)20-18(23)13-3-2-4-14(19)11-13/h2-11H,1H3,(H,20,23)
InChIKeyNTGJYBSKPXZPEE-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.94
Rot. Bonds4

About 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide

3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide (PubChem CID 27452337) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide
PubChem CID27452337
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Name3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide
SMILESCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)nn1
InChIInChI=1S/C18H14FN3O3S/c1-26(24,25)17-10-9-16(21-22-17)12-5-7-15(8-6-12)20-18(23)13-3-2-4-14(19)11-13/h2-11H,1H3,(H,20,23)
InChIKeyNTGJYBSKPXZPEE-UHFFFAOYSA-N
XLogP2.94
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]benzamide
CID 110732565
2-(4-fluorophenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213086
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-3-nitrobenzamide
CID 26841756
3-fluoro-N-(4-propan-2-ylsulfonylphenyl)benzamide
CID 110778716
2-(3-methylphenyl)-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]acetamide
CID 41213083
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-phenylbenzamide
CID 41213169
N-[4-(6-ethylsulfonylpyridazin-3-yl)phenyl]-3,4-dimethoxybenzamide
CID 41213117
N-[3-(6-ethylsulfonylpyridazin-3-yl)phenyl]-4-fluorobenzamide
CID 18567798
4-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523305
3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 109056998
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide
CID 4591992

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide (CID 27452337) is 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide is CS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc(F)c3)cc2)nn1.
What is the InChIKey of 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is NTGJYBSKPXZPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c1-26(24,25)17-10-9-16(21-22-17)12-5-7-15(8-6-12)20-18(23)13-3-2-4-14(19)11-13/h2-11H,1H3,(H,20,23).
What are the key properties of 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide?
3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 371.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(6-methylsulfonylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 27452337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).