(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid

C11H12FNO4S — CID 93083334

IUPAC(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO4S/c12-9-1-3-10(4-2-9)18(16,17)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m0/s1
InChIKeyFIDOKJCISOZSBN-QMMMGPOBSA-N
MW273.28 g/mol
LogP0.92
Rot. Bonds3

About (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid

(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 93083334) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID93083334
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C11H12FNO4S/c12-9-1-3-10(4-2-9)18(16,17)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m0/s1
InChIKeyFIDOKJCISOZSBN-QMMMGPOBSA-N
XLogP0.92
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 ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidine-3-carboxylic acid
CID 63030803
(3R)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 778314
1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidine-3-carboxylic acid
CID 122068541
(3R)-1-(4-fluorophenyl)sulfonyl-N-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 92633582
1-(3-fluoro-4-nitrophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 82846589
1-[2-[(4-fluorophenyl)sulfonyl-methylamino]ethylsulfonyl]pyrrolidine-3-carboxylic acid
CID 122068604
cis-(1R,3S)-3-[[1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678343
[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 3236130
(4-cyclopentylpiperazin-1-yl)-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanone
CID 110246552
1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 23607546
3-bromo-1-(4-fluorophenyl)sulfonylpyrrolidine
CID 80666772
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid (CID 93083334) is (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is FIDOKJCISOZSBN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-9-1-3-10(4-2-9)18(16,17)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid?
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 93083334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).