3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

C8H15F3N2O3S — CID 114809756

IUPAC3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESCC(O)C1CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O3S/c1-6(14)7-2-3-13(4-7)17(15,16)12-5-8(9,10)11/h6-7,12,14H,2-5H2,1H3
InChIKeyNFAIXICAGBVZFU-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.09
Rot. Bonds4

About 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide

3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 114809756) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID114809756
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESCC(O)C1CCN(S(=O)(=O)NCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O3S/c1-6(14)7-2-3-13(4-7)17(15,16)12-5-8(9,10)11/h6-7,12,14H,2-5H2,1H3
InChIKeyNFAIXICAGBVZFU-UHFFFAOYSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-4-methyl-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 102959046
1-[1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrrolidin-3-yl]ethanol
CID 103366443
4-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-sulfonamide
CID 106837145
1-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627552
1-[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627598
3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809442
1-Hydroxy-3-[[methyl(2,2,2-trifluoroethylsulfamoyl)amino]methyl]cyclobutane
CID 114809657
3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809896
N-ethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 103990799
3-(1-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 103990802
N,N-diethyl-3-(1-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 109997108
N-butyl-3-(1-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 109997144

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 114809756) is 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is CC(O)C1CCN(S(=O)(=O)NCC(F)(F)F)C1.
What is the InChIKey of 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is NFAIXICAGBVZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c1-6(14)7-2-3-13(4-7)17(15,16)12-5-8(9,10)11/h6-7,12,14H,2-5H2,1H3.
What are the key properties of 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 276.28 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114809756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).