[(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H11F4NO3S — CID 136581769

IUPAC[(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cc(F)c(F)cc1F)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H11F4NO3S/c12-6-1-7(5-17)16(4-6)20(18,19)11-3-9(14)8(13)2-10(11)15/h2-3,6-7,17H,1,4-5H2/t6-,7-/m0/s1
InChIKeyAJCUXCOQBNUJCT-BQBZGAKWSA-N
MW313.27 g/mol
LogP1.20
Rot. Bonds3

About [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol

[(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 136581769) has the molecular formula C11H11F4NO3S and a molecular weight of 313.27 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID136581769
Molecular FormulaC11H11F4NO3S
Molecular Weight313.27 g/mol
Exact Mass313.04
IUPAC Name[(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1cc(F)c(F)cc1F)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C11H11F4NO3S/c12-6-1-7(5-17)16(4-6)20(18,19)11-3-9(14)8(13)2-10(11)15/h2-3,6-7,17H,1,4-5H2/t6-,7-/m0/s1
InChIKeyAJCUXCOQBNUJCT-BQBZGAKWSA-N
XLogP1.20
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol 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

((2S)-1-(benzenesulfonyl)pyrrolidin-2-yl)methanol
CID 15696145
Ethanol, 2-(cyclohexyl)(4-fluorophenylsulfonyl)amino-
CID 604862
[(R)-1-[1-(o-fluorophenylsulfonyl)-4-piperidyl]-2-pyrrolidinyl]methanol
CID 97415218
[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3722450
1-(2-Fluorophenyl)sulfonylpyrrolidin-3-ol
CID 6733533
[1-(3-Fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 4990892
[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 39086676
(1S)-1-[(2S)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-2,2-dimethylpropan-1-ol
CID 58594579
[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028203
[(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol
CID 130358274
[(2S)-1-(4-bromo-3,5-difluorophenyl)sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 134362259
[1-(4-Bromo-3,5-difluorophenyl)sulfonyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 134362260

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 136581769) is [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1cc(F)c(F)cc1F)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is AJCUXCOQBNUJCT-BQBZGAKWSA-N. The full InChI is InChI=1S/C11H11F4NO3S/c12-6-1-7(5-17)16(4-6)20(18,19)11-3-9(14)8(13)2-10(11)15/h2-3,6-7,17H,1,4-5H2/t6-,7-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 313.27 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(2,4,5-trifluorophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 136581769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).