(2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

C11H11F2NO5S — CID 78999632

IUPAC(2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO5S/c12-7-2-1-3-8(13)10(7)20(18,19)14-5-6(15)4-9(14)11(16)17/h1-3,6,9,15H,4-5H2,(H,16,17)/t6-,9-/m1/s1
InChIKeyWXHRWRVJHNIHHU-HZGVNTEJSA-N
MW307.27 g/mol
LogP0.17
Rot. Bonds3

About (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 78999632) has the molecular formula C11H11F2NO5S and a molecular weight of 307.27 g/mol. Its IUPAC name is (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID78999632
Molecular FormulaC11H11F2NO5S
Molecular Weight307.27 g/mol
Exact Mass307.03
IUPAC Name(2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1c(F)cccc1F
InChIInChI=1S/C11H11F2NO5S/c12-7-2-1-3-8(13)10(7)20(18,19)14-5-6(15)4-9(14)11(16)17/h1-3,6,9,15H,4-5H2,(H,16,17)/t6-,9-/m1/s1
InChIKeyWXHRWRVJHNIHHU-HZGVNTEJSA-N
XLogP0.17
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid (CID 78999632) is (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1c(F)cccc1F.
What is the InChIKey of (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is WXHRWRVJHNIHHU-HZGVNTEJSA-N. The full InChI is InChI=1S/C11H11F2NO5S/c12-7-2-1-3-8(13)10(7)20(18,19)14-5-6(15)4-9(14)11(16)17/h1-3,6,9,15H,4-5H2,(H,16,17)/t6-,9-/m1/s1.
What are the key properties of (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 307.27 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2,6-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78999632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).