[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol

C11H13BrFNO3S — CID 71911370

IUPAC[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]1CO
InChIInChI=1S/C11H13BrFNO3S/c12-10-6-9(3-4-11(10)13)18(16,17)14-5-1-2-8(14)7-15/h3-4,6,8,15H,1-2,5,7H2/t8-/m0/s1
InChIKeyZOBIYSZMQCWMDG-QMMMGPOBSA-N
MW338.20 g/mol
LogP1.73
Rot. Bonds3

About [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol

[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol (PubChem CID 71911370) has the molecular formula C11H13BrFNO3S and a molecular weight of 338.20 g/mol. Its IUPAC name is [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
PubChem CID71911370
Molecular FormulaC11H13BrFNO3S
Molecular Weight338.20 g/mol
Exact Mass336.98
IUPAC Name[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol
SMILESO=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]1CO
InChIInChI=1S/C11H13BrFNO3S/c12-10-6-9(3-4-11(10)13)18(16,17)14-5-1-2-8(14)7-15/h3-4,6,8,15H,1-2,5,7H2/t8-/m0/s1
InChIKeyZOBIYSZMQCWMDG-QMMMGPOBSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbenzoic acid
CID 61408927
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[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
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[1-(4-bromo-3-methylphenyl)sulfonylpyrrolidin-2-yl]methanol
CID 61409204
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
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[1-[3-(aminomethyl)-4-fluorophenyl]sulfonylpiperidin-2-yl]methanol
CID 63288078
[1-(3-bromophenyl)sulfonylpyrrolidin-2-yl]methanol
CID 3809437
[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]methanol;ethane
CID 143517096
[1-(3-amino-4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 115328812
[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanol
CID 43574420
[1-(4-bromophenyl)sulfonylazepan-2-yl]methanol
CID 116636618
[(2S)-1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 107858899

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol (CID 71911370) is [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol is O=S(=O)(c1ccc(F)c(Br)c1)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
The InChIKey is ZOBIYSZMQCWMDG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13BrFNO3S/c12-10-6-9(3-4-11(10)13)18(16,17)14-5-1-2-8(14)7-15/h3-4,6,8,15H,1-2,5,7H2/t8-/m0/s1.
What are the key properties of [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol?
[(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol has a molecular weight of 338.20 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-bromo-4-fluorophenyl)sulfonylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 71911370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).