2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

C9H13F3N4O3S — CID 60959363

IUPAC2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N4O3S/c1-6-7(3-14-15-6)20(18,19)16(2)4-8(17)13-5-9(10,11)12/h3H,4-5H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyAXMATALFFFIQIT-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.02
Rot. Bonds5

About 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60959363) has the molecular formula C9H13F3N4O3S and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60959363
Molecular FormulaC9H13F3N4O3S
Molecular Weight314.29 g/mol
Exact Mass314.07
IUPAC Name2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)CC(=O)NCC(F)(F)F
InChIInChI=1S/C9H13F3N4O3S/c1-6-7(3-14-15-6)20(18,19)16(2)4-8(17)13-5-9(10,11)12/h3H,4-5H2,1-2H3,(H,13,17)(H,14,15)
InChIKeyAXMATALFFFIQIT-UHFFFAOYSA-N
XLogP0.02
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]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-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 60959363) is 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is Cc1[nH]ncc1S(=O)(=O)N(C)CC(=O)NCC(F)(F)F.
What is the InChIKey of 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AXMATALFFFIQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3S/c1-6-7(3-14-15-6)20(18,19)16(2)4-8(17)13-5-9(10,11)12/h3H,4-5H2,1-2H3,(H,13,17)(H,14,15).
What are the key properties of 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 314.29 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60959363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).