N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide

C13H19F3N2O3S — CID 124626699

IUPACN-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccco1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3S/c1-10(17-22(19,20)12-3-2-8-21-12)11-4-6-18(7-5-11)9-13(14,15)16/h2-3,8,10-11,17H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyLVXZFWGSWFIZHU-SNVBAGLBSA-N
MW340.37 g/mol
LogP2.22
Rot. Bonds5

About N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide

N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide (PubChem CID 124626699) has the molecular formula C13H19F3N2O3S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
PubChem CID124626699
Molecular FormulaC13H19F3N2O3S
Molecular Weight340.37 g/mol
Exact Mass340.11
IUPAC NameN-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccco1)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C13H19F3N2O3S/c1-10(17-22(19,20)12-3-2-8-21-12)11-4-6-18(7-5-11)9-13(14,15)16/h2-3,8,10-11,17H,4-7,9H2,1H3/t10-/m1/s1
InChIKeyLVXZFWGSWFIZHU-SNVBAGLBSA-N
XLogP2.22
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide?
The IUPAC name of N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide (CID 124626699) is N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide.
What is the SMILES notation for N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide?
The canonical SMILES for N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide is C[C@@H](NS(=O)(=O)c1ccco1)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide?
The InChIKey is LVXZFWGSWFIZHU-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19F3N2O3S/c1-10(17-22(19,20)12-3-2-8-21-12)11-4-6-18(7-5-11)9-13(14,15)16/h2-3,8,10-11,17H,4-7,9H2,1H3/t10-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide?
N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide has a molecular weight of 340.37 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]furan-2-sulfonamide is sourced from PubChem (CID 124626699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).