N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

C15H15F4N3O3S — CID 155953600

IUPACN-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NS(=O)(=O)CCc1ccc(F)cc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H15F4N3O3S/c1-10(22-8-6-13(20-22)15(17,18)19)14(23)21-26(24,25)9-7-11-2-4-12(16)5-3-11/h2-6,8,10H,7,9H2,1H3,(H,21,23)
InChIKeyDFBIRALAZLGORW-UHFFFAOYSA-N
MW393.36 g/mol
LogP2.29
Rot. Bonds6

About N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide

N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (PubChem CID 155953600) has the molecular formula C15H15F4N3O3S and a molecular weight of 393.36 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
PubChem CID155953600
Molecular FormulaC15H15F4N3O3S
Molecular Weight393.36 g/mol
Exact Mass393.08
IUPAC NameN-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
SMILESCC(C(=O)NS(=O)(=O)CCc1ccc(F)cc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H15F4N3O3S/c1-10(22-8-6-13(20-22)15(17,18)19)14(23)21-26(24,25)9-7-11-2-4-12(16)5-3-11/h2-6,8,10H,7,9H2,1H3,(H,21,23)
InChIKeyDFBIRALAZLGORW-UHFFFAOYSA-N
XLogP2.29
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide 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-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide (CID 155953600) is N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is CC(C(=O)NS(=O)(=O)CCc1ccc(F)cc1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
The InChIKey is DFBIRALAZLGORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N3O3S/c1-10(22-8-6-13(20-22)15(17,18)19)14(23)21-26(24,25)9-7-11-2-4-12(16)5-3-11/h2-6,8,10H,7,9H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide?
N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide has a molecular weight of 393.36 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethylsulfonyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 155953600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).