[(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol

C12H16FNO5S2 — CID 66261143

IUPAC[(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2CO)c1
InChIInChI=1S/C12H16FNO5S2/c1-20(16,17)10-4-5-11(13)12(7-10)21(18,19)14-6-2-3-9(14)8-15/h4-5,7,9,15H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyBSCXOVBYVRYXLH-SECBINFHSA-N
MW337.39 g/mol
LogP0.37
Rot. Bonds4

About [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol

[(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 66261143) has the molecular formula C12H16FNO5S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID66261143
Molecular FormulaC12H16FNO5S2
Molecular Weight337.39 g/mol
Exact Mass337.05
IUPAC Name[(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2CO)c1
InChIInChI=1S/C12H16FNO5S2/c1-20(16,17)10-4-5-11(13)12(7-10)21(18,19)14-6-2-3-9(14)8-15/h4-5,7,9,15H,2-3,6,8H2,1H3/t9-/m1/s1
InChIKeyBSCXOVBYVRYXLH-SECBINFHSA-N
XLogP0.37
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

((2S)-1-(benzenesulfonyl)pyrrolidin-2-yl)methanol
CID 15696145
[1-(4-Fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3722450
N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 129365745
[(2S)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
CID 75467509
[(2R)-1-[2-(benzenesulfonyl)ethyl]pyrrolidin-2-yl]methanol
CID 95314907
[(2S,4S)-4-fluoro-1-(2,4,5-trifluorobenzenesulfonyl)pyrrolidin-2-yl]methanol
CID 136581769
[1-(3-Fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 4990892
[(2R)-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 39086676
[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 79028203
[(2S)-1-(3-fluorophenyl)sulfinylpyrrolidin-2-yl]methanol
CID 130358274
[(2R)-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]methanol
CID 174917991
1-(3-Fluorophenyl)sulfonyl-2-(methoxymethyl)pyrrolidine
CID 3416067

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol (CID 66261143) is [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2CO)c1.
What is the InChIKey of [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is BSCXOVBYVRYXLH-SECBINFHSA-N. The full InChI is InChI=1S/C12H16FNO5S2/c1-20(16,17)10-4-5-11(13)12(7-10)21(18,19)14-6-2-3-9(14)8-15/h4-5,7,9,15H,2-3,6,8H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 337.39 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 66261143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).