3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide

C12H14F3N3O2S2 — CID 122265333

IUPAC3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C12H14F3N3O2S2/c13-12(14,15)4-8-22(19,20)17-9-10(11-3-1-7-21-11)18-6-2-5-16-18/h1-3,5-7,10,17H,4,8-9H2
InChIKeyAKQGAXOVQYBXGE-UHFFFAOYSA-N
MW353.39 g/mol
LogP2.41
Rot. Bonds7

About 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide

3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide (PubChem CID 122265333) has the molecular formula C12H14F3N3O2S2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
PubChem CID122265333
Molecular FormulaC12H14F3N3O2S2
Molecular Weight353.39 g/mol
Exact Mass353.05
IUPAC Name3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCC(c1cccs1)n1cccn1
InChIInChI=1S/C12H14F3N3O2S2/c13-12(14,15)4-8-22(19,20)17-9-10(11-3-1-7-21-11)18-6-2-5-16-18/h1-3,5-7,10,17H,4,8-9H2
InChIKeyAKQGAXOVQYBXGE-UHFFFAOYSA-N
XLogP2.41
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide (CID 122265333) is 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NCC(c1cccs1)n1cccn1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide?
The InChIKey is AKQGAXOVQYBXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O2S2/c13-12(14,15)4-8-22(19,20)17-9-10(11-3-1-7-21-11)18-6-2-5-16-18/h1-3,5-7,10,17H,4,8-9H2.
What are the key properties of 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide?
3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide has a molecular weight of 353.39 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide is sourced from PubChem (CID 122265333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).