(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H12FNO4S — CID 2384346

IUPAC(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7H2,(H,14,15)/t9-/m0/s1
InChIKeyMMRFYVHZNFNROR-VIFPVBQESA-N
MW273.28 g/mol
LogP1.06
Rot. Bonds3

About (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 2384346) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID2384346
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F
InChIInChI=1S/C11H12FNO4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7H2,(H,14,15)/t9-/m0/s1
InChIKeyMMRFYVHZNFNROR-VIFPVBQESA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorobenzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 615038
1-[(4-Bromophenyl)sulfonyl]proline
CID 2765073
(2S)-1-(Benzenesulfonyl)pyrrolidine-2-carboxylic acid
CID 720844
1-(Phenylsulfonyl)proline
CID 2837293
Tosyl-D-Proline
CID 445504
1-(Toluene-4-sulfonyl)-pyrrolidine-2-carboxylic acid
CID 563461
1-(4-Chlorobenzene-1-sulfonyl)proline
CID 2765064
3-[(4-Fluorophenyl)sulfonyl]-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 3306150
trans-1-Benzenesulfonyl-4-hydroxy-pyrrolidine-2-carboxylic acid methyl ester
CID 18445902
N-cyclohexyl-N-[(4-fluorophenyl)sulfonyl]glycine
CID 1534374
1-(Benzenesulfonyl)piperidine-2-carboxylic acid
CID 2769957
1-((3-(Trifluoromethyl)phenyl)sulfonyl)pyrrolidine-2-carboxylic acid
CID 2777712

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 2384346) is (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F.
What is the InChIKey of (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is MMRFYVHZNFNROR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-8-4-1-2-6-10(8)18(16,17)13-7-3-5-9(13)11(14)15/h1-2,4,6,9H,3,5,7H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2384346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).