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

C8H15F3N2O3S — CID 114809896

IUPAC3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCC(CCO)C1
InChIInChI=1S/C8H15F3N2O3S/c9-8(10,11)6-12-17(15,16)13-3-1-7(5-13)2-4-14/h7,12,14H,1-6H2
InChIKeyBLDDKKBLXJPJAI-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.09
Rot. Bonds5

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

3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 114809896) has the molecular formula C8H15F3N2O3S and a molecular weight of 276.28 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID114809896
Molecular FormulaC8H15F3N2O3S
Molecular Weight276.28 g/mol
Exact Mass276.08
IUPAC Name3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCC(CCO)C1
InChIInChI=1S/C8H15F3N2O3S/c9-8(10,11)6-12-17(15,16)13-3-1-7(5-13)2-4-14/h7,12,14H,1-6H2
InChIKeyBLDDKKBLXJPJAI-UHFFFAOYSA-N
XLogP0.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(hydroxymethyl)-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 113736414
2-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114799314
3-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809442
3-(1-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 114809756
N-(3-aminopropyl)-3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 114797378
3-(2-hydroxyethyl)-N-methylpyrrolidine-1-sulfonamide
CID 114809894
3-(2-hydroxyethyl)-N-propylpyrrolidine-1-sulfonamide
CID 114809895
3-(2-hydroxyethyl)-N-(2-methylpropyl)pyrrolidine-1-sulfonamide
CID 114815820
3-(2-Hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115690733
N-ethyl-3-(2-hydroxyethyl)pyrrolidine-1-sulfonamide
CID 115744986
3-(2-hydroxyethyl)-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 115969837

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 114809896) is 3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCC(CCO)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is BLDDKKBLXJPJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O3S/c9-8(10,11)6-12-17(15,16)13-3-1-7(5-13)2-4-14/h7,12,14H,1-6H2.
What are the key properties of 3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 276.28 g/mol, XLogP of 0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114809896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).