2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C8H11F3N4O3S — CID 102692177

IUPAC2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H11F3N4O3S/c1-15(4-6(16)12-5-8(9,10)11)19(17,18)7-2-3-13-14-7/h2-3H,4-5H2,1H3,(H,12,16)(H,13,14)
InChIKeyZDQUXAYYKLIHDY-UHFFFAOYSA-N
MW300.26 g/mol
LogP-0.29
Rot. Bonds5

About 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 102692177) has the molecular formula C8H11F3N4O3S and a molecular weight of 300.26 g/mol. Its IUPAC name is 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID102692177
Molecular FormulaC8H11F3N4O3S
Molecular Weight300.26 g/mol
Exact Mass300.05
IUPAC Name2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H11F3N4O3S/c1-15(4-6(16)12-5-8(9,10)11)19(17,18)7-2-3-13-14-7/h2-3H,4-5H2,1H3,(H,12,16)(H,13,14)
InChIKeyZDQUXAYYKLIHDY-UHFFFAOYSA-N
XLogP-0.29
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide 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 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 102692177) is 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZDQUXAYYKLIHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O3S/c1-15(4-6(16)12-5-8(9,10)11)19(17,18)7-2-3-13-14-7/h2-3H,4-5H2,1H3,(H,12,16)(H,13,14).
What are the key properties of 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 300.26 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(1H-pyrazol-5-ylsulfonyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 102692177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).