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

C12H16FNO4S — CID 128977290

IUPAC[(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCOc1ccccc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C12H16FNO4S/c1-18-11-4-2-3-5-12(11)19(16,17)14-7-9(13)6-10(14)8-15/h2-5,9-10,15H,6-8H2,1H3/t9-,10-/m0/s1
InChIKeyXZBIZHAHTNGMFQ-UWVGGRQHSA-N
MW289.33 g/mol
LogP0.79
Rot. Bonds4

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

[(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 128977290) has the molecular formula C12H16FNO4S and a molecular weight of 289.33 g/mol. Its IUPAC name is [(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID128977290
Molecular FormulaC12H16FNO4S
Molecular Weight289.33 g/mol
Exact Mass289.08
IUPAC Name[(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCOc1ccccc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO
InChIInChI=1S/C12H16FNO4S/c1-18-11-4-2-3-5-12(11)19(16,17)14-7-9(13)6-10(14)8-15/h2-5,9-10,15H,6-8H2,1H3/t9-,10-/m0/s1
InChIKeyXZBIZHAHTNGMFQ-UWVGGRQHSA-N
XLogP0.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 128977290) is [(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol is COc1ccccc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is XZBIZHAHTNGMFQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H16FNO4S/c1-18-11-4-2-3-5-12(11)19(16,17)14-7-9(13)6-10(14)8-15/h2-5,9-10,15H,6-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of [(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 289.33 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluoro-1-(2-methoxyphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 128977290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).