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

C6H11F3N2O3S — CID 114809494

IUPAC3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCC(O)C1
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)4-10-15(13,14)11-2-1-5(12)3-11/h5,10,12H,1-4H2
InChIKeyPGVDRVOCZZOFTM-UHFFFAOYSA-N
MW248.23 g/mol
LogP-0.55
Rot. Bonds3

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

3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (PubChem CID 114809494) has the molecular formula C6H11F3N2O3S and a molecular weight of 248.23 g/mol. Its IUPAC name is 3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
PubChem CID114809494
Molecular FormulaC6H11F3N2O3S
Molecular Weight248.23 g/mol
Exact Mass248.04
IUPAC Name3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
SMILESO=S(=O)(NCC(F)(F)F)N1CCC(O)C1
InChIInChI=1S/C6H11F3N2O3S/c7-6(8,9)4-10-15(13,14)11-2-1-5(12)3-11/h5,10,12H,1-4H2
InChIKeyPGVDRVOCZZOFTM-UHFFFAOYSA-N
XLogP-0.55
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide
CID 122536446
(3S,4S)-3-fluoro-4-hydroxy-N-methylpyrrolidine-1-sulfonamide
CID 122536448
(3R,4R)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 138583396
(3S,4S)-3-fluoro-4-hydroxy-N-propan-2-ylpyrrolidine-1-sulfonamide
CID 138583505
(3S,4S)-N-ethyl-3-fluoro-4-hydroxypyrrolidine-1-sulfonamide
CID 138583574
1-(Trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 62918646
(3R)-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 66291493
(3S)-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 79030729
N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 103834022
N-(3,3-difluoro-2-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 103836815
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-1-sulfonamide
CID 104858688
(3R)-3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 104978074

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide (CID 114809494) is 3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is O=S(=O)(NCC(F)(F)F)N1CCC(O)C1.
What is the InChIKey of 3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
The InChIKey is PGVDRVOCZZOFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O3S/c7-6(8,9)4-10-15(13,14)11-2-1-5(12)3-11/h5,10,12H,1-4H2.
What are the key properties of 3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide?
3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide has a molecular weight of 248.23 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 114809494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).