N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

C16H14FN3O2S — CID 67646010

IUPACN-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1-c1cn[nH]c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14FN3O2S/c1-11-9-12(17)7-8-14(11)15-10-18-19-16(15)20-23(21,22)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,20)
InChIKeyCRYLSEODQNRJHG-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.33
Rot. Bonds4

About N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide

N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (PubChem CID 67646010) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
PubChem CID67646010
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide
SMILESCc1cc(F)ccc1-c1cn[nH]c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H14FN3O2S/c1-11-9-12(17)7-8-14(11)15-10-18-19-16(15)20-23(21,22)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,20)
InChIKeyCRYLSEODQNRJHG-UHFFFAOYSA-N
XLogP3.33
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-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-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide (CID 67646010) is N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is Cc1cc(F)ccc1-c1cn[nH]c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
The InChIKey is CRYLSEODQNRJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c1-11-9-12(17)7-8-14(11)15-10-18-19-16(15)20-23(21,22)13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,19,20).
What are the key properties of N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide?
N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoro-2-methylphenyl)-1H-pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 67646010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).