3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide

C5H9F3N2O3S — CID 130161631

IUPAC3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C5H9F3N2O3S/c6-5(7,8)4(11)1-2-10(3-4)14(9,12)13/h11H,1-3H2,(H2,9,12,13)
InChIKeySEQLMIYLEDNEQO-UHFFFAOYSA-N
MW234.20 g/mol
LogP-0.81
Rot. Bonds1

About 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide

3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide (PubChem CID 130161631) has the molecular formula C5H9F3N2O3S and a molecular weight of 234.20 g/mol. Its IUPAC name is 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
PubChem CID130161631
Molecular FormulaC5H9F3N2O3S
Molecular Weight234.20 g/mol
Exact Mass234.03
IUPAC Name3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide
SMILESNS(=O)(=O)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C5H9F3N2O3S/c6-5(7,8)4(11)1-2-10(3-4)14(9,12)13/h11H,1-3H2,(H2,9,12,13)
InChIKeySEQLMIYLEDNEQO-UHFFFAOYSA-N
XLogP-0.81
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Disulfanyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 135196280
1-Methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 86769483
(3R)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97217918
(3S)-1-methylsulfonyl-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97217919
3-hydroxy-3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-1-sulfonamide
CID 103357539
3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-3-ol
CID 103357540
1-(Difluoromethylsulfonyl)-3-methylpyrrolidin-3-ol
CID 103871370
3-[(2,2,2-Trifluoroethylsulfamoylamino)methyl]pyrrolidin-3-ol
CID 114805134
3-Hydroxy-3-methylpyrrolidine-1-sulfonyl fluoride
CID 135564465
3-Hydroxy-3-methylpyrrolidine-1-sulfonamide
CID 103727867
3-hydroxy-N,3-dimethylpyrrolidine-1-sulfonamide
CID 103357564
3-hydroxy-N,N,3-trimethylpyrrolidine-1-sulfonamide
CID 103871585

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide (CID 130161631) is 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide is NS(=O)(=O)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide?
The InChIKey is SEQLMIYLEDNEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2O3S/c6-5(7,8)4(11)1-2-10(3-4)14(9,12)13/h11H,1-3H2,(H2,9,12,13).
What are the key properties of 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide?
3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide has a molecular weight of 234.20 g/mol, XLogP of -0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 130161631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).