N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide

C19H18FN3O3S — CID 9118347

IUPACN-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C19H18FN3O3S/c20-16-6-8-17(9-7-16)27(25,26)13-11-19(24)22-18-10-12-21-23(18)14-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,22,24)
InChIKeyDXBARDJOZTXXGL-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.87
Rot. Bonds7

About N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide

N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 9118347) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide
PubChem CID9118347
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC NameN-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C19H18FN3O3S/c20-16-6-8-17(9-7-16)27(25,26)13-11-19(24)22-18-10-12-21-23(18)14-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,22,24)
InChIKeyDXBARDJOZTXXGL-UHFFFAOYSA-N
XLogP2.87
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide 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-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide (CID 9118347) is N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is DXBARDJOZTXXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c20-16-6-8-17(9-7-16)27(25,26)13-11-19(24)22-18-10-12-21-23(18)14-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,22,24).
What are the key properties of N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide?
N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 387.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-3-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 9118347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).