[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol

C12H16FNO3S — CID 66260974

IUPAC[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1F
InChIInChI=1S/C12H16FNO3S/c1-9-4-5-11(7-12(9)13)18(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8H2,1H3/t10-/m0/s1
InChIKeyIJKCWOSUWAYTNW-JTQLQIEISA-N
MW273.33 g/mol
LogP1.28
Rot. Bonds3

About [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol

[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 66260974) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID66260974
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1F
InChIInChI=1S/C12H16FNO3S/c1-9-4-5-11(7-12(9)13)18(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8H2,1H3/t10-/m0/s1
InChIKeyIJKCWOSUWAYTNW-JTQLQIEISA-N
XLogP1.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 66260974) is [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol is Cc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1F.
What is the InChIKey of [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is IJKCWOSUWAYTNW-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-9-4-5-11(7-12(9)13)18(16,17)14-6-2-3-10(14)8-15/h4-5,7,10,15H,2-3,6,8H2,1H3/t10-/m0/s1.
What are the key properties of [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 273.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 66260974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).