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

C7H13F3N2O3S — CID 114809334

IUPAC4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)5-11-16(14,15)12-3-1-6(13)2-4-12/h6,11,13H,1-5H2
InChIKeyBIWJPPYHAQANGB-UHFFFAOYSA-N
MW262.25 g/mol
LogP-0.16
Rot. Bonds3

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

4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (PubChem CID 114809334) has the molecular formula C7H13F3N2O3S and a molecular weight of 262.25 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
PubChem CID114809334
Molecular FormulaC7H13F3N2O3S
Molecular Weight262.25 g/mol
Exact Mass262.06
IUPAC Name4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C7H13F3N2O3S/c8-7(9,10)5-11-16(14,15)12-3-1-6(13)2-4-12/h6,11,13H,1-5H2
InChIKeyBIWJPPYHAQANGB-UHFFFAOYSA-N
XLogP-0.16
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide (CID 114809334) is 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
The InChIKey is BIWJPPYHAQANGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O3S/c8-7(9,10)5-11-16(14,15)12-3-1-6(13)2-4-12/h6,11,13H,1-5H2.
What are the key properties of 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide?
4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide has a molecular weight of 262.25 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 114809334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).