(3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol

C11H14FNO5S2 — CID 66291175

IUPAC(3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C11H14FNO5S2/c1-19(15,16)9-2-3-10(12)11(6-9)20(17,18)13-5-4-8(14)7-13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyMXGFQXOHXHQXPX-MRVPVSSYSA-N
MW323.37 g/mol
LogP-0.02
Rot. Bonds3

About (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol

(3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 66291175) has the molecular formula C11H14FNO5S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID66291175
Molecular FormulaC11H14FNO5S2
Molecular Weight323.37 g/mol
Exact Mass323.03
IUPAC Name(3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
SMILESCS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C11H14FNO5S2/c1-19(15,16)9-2-3-10(12)11(6-9)20(17,18)13-5-4-8(14)7-13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1
InChIKeyMXGFQXOHXHQXPX-MRVPVSSYSA-N
XLogP-0.02
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 129365745
N-[(2S)-2,3-dihydroxypropyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-4-fluorobenzenesulfonamide
CID 129515778
1-(2-Fluorophenyl)sulfonylpyrrolidin-3-ol
CID 6733533
1-[(4-Fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68571124
(3R)-1-[(4-fluorophenyl)sulfanylmethyl]pyrrolidin-3-ol
CID 68603034
5-(4-Fluorophenyl)sulfonyl-1-methylpyrrolidine-2,3-diol
CID 141399560
N-(2,3-dihydroxypropyl)-2-fluoro-N-methylbenzenesulfonamide
CID 23850398
N-(2,3-dihydroxypropyl)-3-fluoro-N-methylbenzenesulfonamide
CID 23990901
1-(2-Fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidine
CID 43454688
1-(2-Fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-4-ol
CID 43454723
2-fluoro-N-(2-hydroxypropyl)-5-methylsulfonylbenzenesulfonamide
CID 43502313
1-(2-Fluoro-5-methylsulfonylphenyl)sulfonylpiperidin-3-ol
CID 43502933

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol (CID 66291175) is (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol is CS(=O)(=O)c1ccc(F)c(S(=O)(=O)N2CC[C@@H](O)C2)c1.
What is the InChIKey of (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is MXGFQXOHXHQXPX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14FNO5S2/c1-19(15,16)9-2-3-10(12)11(6-9)20(17,18)13-5-4-8(14)7-13/h2-3,6,8,14H,4-5,7H2,1H3/t8-/m1/s1.
What are the key properties of (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol?
(3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 323.37 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-fluoro-5-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 66291175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).