N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

C23H20FN3O2S — CID 67646018

IUPACN-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2cn(Cc3ccccc3)nc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C23H20FN3O2S/c1-17-12-13-19(14-22(17)24)21-16-27(15-18-8-4-2-5-9-18)25-23(21)26-30(28,29)20-10-6-3-7-11-20/h2-14,16H,15H2,1H3,(H,25,26)
InChIKeyZOQYXWJGERVQIJ-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.85
Rot. Bonds6

About N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67646018) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67646018
Molecular FormulaC23H20FN3O2S
Molecular Weight421.50 g/mol
Exact Mass421.13
IUPAC NameN-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2cn(Cc3ccccc3)nc2NS(=O)(=O)c2ccccc2)cc1F
InChIInChI=1S/C23H20FN3O2S/c1-17-12-13-19(14-22(17)24)21-16-27(15-18-8-4-2-5-9-18)25-23(21)26-30(28,29)20-10-6-3-7-11-20/h2-14,16H,15H2,1H3,(H,25,26)
InChIKeyZOQYXWJGERVQIJ-UHFFFAOYSA-N
XLogP4.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 67646018) is N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is Cc1ccc(-c2cn(Cc3ccccc3)nc2NS(=O)(=O)c2ccccc2)cc1F.
What is the InChIKey of N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is ZOQYXWJGERVQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c1-17-12-13-19(14-22(17)24)21-16-27(15-18-8-4-2-5-9-18)25-23(21)26-30(28,29)20-10-6-3-7-11-20/h2-14,16H,15H2,1H3,(H,25,26).
What are the key properties of N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 421.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-benzyl-4-(3-fluoro-4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67646018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).