N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide

C16H14FN3O2S — CID 20914802

IUPACN-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H14FN3O2S/c17-14-4-2-13(3-5-14)12-19-23(21,22)16-8-6-15(7-9-16)20-11-1-10-18-20/h1-11,19H,12H2
InChIKeyFXYKDKNTYMMMHD-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.49
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide

N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914802) has the molecular formula C16H14FN3O2S and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914802
Molecular FormulaC16H14FN3O2S
Molecular Weight331.37 g/mol
Exact Mass331.08
IUPAC NameN-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(F)cc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H14FN3O2S/c17-14-4-2-13(3-5-14)12-19-23(21,22)16-8-6-15(7-9-16)20-11-1-10-18-20/h1-11,19H,12H2
InChIKeyFXYKDKNTYMMMHD-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide 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-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide (CID 20914802) is N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NCc1ccc(F)cc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is FXYKDKNTYMMMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2S/c17-14-4-2-13(3-5-14)12-19-23(21,22)16-8-6-15(7-9-16)20-11-1-10-18-20/h1-11,19H,12H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide?
N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 331.37 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).