5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C7H11F3N4O2S — CID 55006938

IUPAC5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C7H11F3N4O2S/c1-2-14(4-7(8,9)10)17(15,16)5-3-12-13-6(5)11/h3H,2,4H2,1H3,(H3,11,12,13)
InChIKeyJXCMCJAPVLMVAF-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.56
Rot. Bonds4

About 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 55006938) has the molecular formula C7H11F3N4O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID55006938
Molecular FormulaC7H11F3N4O2S
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C7H11F3N4O2S/c1-2-14(4-7(8,9)10)17(15,16)5-3-12-13-6(5)11/h3H,2,4H2,1H3,(H3,11,12,13)
InChIKeyJXCMCJAPVLMVAF-UHFFFAOYSA-N
XLogP0.56
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 55006938) is 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is JXCMCJAPVLMVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S/c1-2-14(4-7(8,9)10)17(15,16)5-3-12-13-6(5)11/h3H,2,4H2,1H3,(H3,11,12,13).
What are the key properties of 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 272.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 55006938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).