1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide

C7H13F3N2O2S — CID 114999463

IUPAC1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)5-12-3-1-6(2-4-12)15(11,13)14/h6H,1-5H2,(H2,11,13,14)
InChIKeyMRBHATBJCOKPDV-UHFFFAOYSA-N
MW246.25 g/mol
LogP0.30
Rot. Bonds2

About 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide

1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide (PubChem CID 114999463) has the molecular formula C7H13F3N2O2S and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide
PubChem CID114999463
Molecular FormulaC7H13F3N2O2S
Molecular Weight246.25 g/mol
Exact Mass246.06
IUPAC Name1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide
SMILESNS(=O)(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C7H13F3N2O2S/c8-7(9,10)5-12-3-1-6(2-4-12)15(11,13)14/h6H,1-5H2,(H2,11,13,14)
InChIKeyMRBHATBJCOKPDV-UHFFFAOYSA-N
XLogP0.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide?
The IUPAC name of 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide (CID 114999463) is 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide is NS(=O)(=O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide?
The InChIKey is MRBHATBJCOKPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2S/c8-7(9,10)5-12-3-1-6(2-4-12)15(11,13)14/h6H,1-5H2,(H2,11,13,14).
What are the key properties of 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide?
1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide has a molecular weight of 246.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)piperidine-4-sulfonamide is sourced from PubChem (CID 114999463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).