2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

C20H18F4N4O3S — CID 55503346

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H18F4N4O3S/c1-13-10-18(28(26-13)16-5-3-4-14(11-16)20(22,23)24)25-19(29)12-27(2)32(30,31)17-8-6-15(21)7-9-17/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyOBKBQJURVPHLAV-UHFFFAOYSA-N
MW470.45 g/mol
LogP3.60
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (PubChem CID 55503346) has the molecular formula C20H18F4N4O3S and a molecular weight of 470.45 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
PubChem CID55503346
Molecular FormulaC20H18F4N4O3S
Molecular Weight470.45 g/mol
Exact Mass470.10
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)n(-c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H18F4N4O3S/c1-13-10-18(28(26-13)16-5-3-4-14(11-16)20(22,23)24)25-19(29)12-27(2)32(30,31)17-8-6-15(21)7-9-17/h3-11H,12H2,1-2H3,(H,25,29)
InChIKeyOBKBQJURVPHLAV-UHFFFAOYSA-N
XLogP3.60
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55548337
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 38936658
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55543607
3-(diethylsulfamoyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]benzamide
CID 55502941
2-(2-fluorophenoxy)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55520422
2-[(4-acetylphenyl)sulfonyl-methylamino]-N-[2-(3,5-dimethylphenyl)-5-methylpyrazol-3-yl]acetamide
CID 55534083
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 45375126
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24664958
N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 55574732
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 46975008
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 55635543
1-(benzenesulfonyl)-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]piperidine-4-carboxamide
CID 55502873

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide (CID 55503346) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is Cc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)n(-c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
The InChIKey is OBKBQJURVPHLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O3S/c1-13-10-18(28(26-13)16-5-3-4-14(11-16)20(22,23)24)25-19(29)12-27(2)32(30,31)17-8-6-15(21)7-9-17/h3-11H,12H2,1-2H3,(H,25,29).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide has a molecular weight of 470.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 55503346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).