2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide

C14H13F3N2O3S — CID 75442343

IUPAC2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide
SMILESO=C(NCCCS(=O)(=O)c1ccc2ccccc2n1)C(F)(F)F
InChIInChI=1S/C14H13F3N2O3S/c15-14(16,17)13(20)18-8-3-9-23(21,22)12-7-6-10-4-1-2-5-11(10)19-12/h1-2,4-7H,3,8-9H2,(H,18,20)
InChIKeyWUKJZJHSJZAPFG-UHFFFAOYSA-N
MW346.33 g/mol
LogP2.08
Rot. Bonds5

About 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide

2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide (PubChem CID 75442343) has the molecular formula C14H13F3N2O3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide
PubChem CID75442343
Molecular FormulaC14H13F3N2O3S
Molecular Weight346.33 g/mol
Exact Mass346.06
IUPAC Name2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide
SMILESO=C(NCCCS(=O)(=O)c1ccc2ccccc2n1)C(F)(F)F
InChIInChI=1S/C14H13F3N2O3S/c15-14(16,17)13(20)18-8-3-9-23(21,22)12-7-6-10-4-1-2-5-11(10)19-12/h1-2,4-7H,3,8-9H2,(H,18,20)
InChIKeyWUKJZJHSJZAPFG-UHFFFAOYSA-N
XLogP2.08
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide (CID 75442343) is 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide is O=C(NCCCS(=O)(=O)c1ccc2ccccc2n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide?
The InChIKey is WUKJZJHSJZAPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O3S/c15-14(16,17)13(20)18-8-3-9-23(21,22)12-7-6-10-4-1-2-5-11(10)19-12/h1-2,4-7H,3,8-9H2,(H,18,20).
What are the key properties of 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide?
2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide has a molecular weight of 346.33 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-quinolin-2-ylsulfonylpropyl)acetamide is sourced from PubChem (CID 75442343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).