2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid

C18H18FNO4S — CID 24863517

IUPAC2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C18H18FNO4S/c19-16-4-6-17(7-5-16)25(23,24)20-9-8-15(12-20)14-3-1-2-13(10-14)11-18(21)22/h1-7,10,15H,8-9,11-12H2,(H,21,22)
InChIKeyNXEUYZRDSWEEPC-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.63
Rot. Bonds5

About 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid

2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid (PubChem CID 24863517) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid
PubChem CID24863517
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C18H18FNO4S/c19-16-4-6-17(7-5-16)25(23,24)20-9-8-15(12-20)14-3-1-2-13(10-14)11-18(21)22/h1-7,10,15H,8-9,11-12H2,(H,21,22)
InChIKeyNXEUYZRDSWEEPC-UHFFFAOYSA-N
XLogP2.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid
CID 24863183
2-[3-[1-(4-methylsulfonylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 24863427
2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 24862857
2-[4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 129384889
2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methylphenyl]acetic acid
CID 24863259
methyl 2-[3-[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]phenyl]acetate
CID 24862933
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
4-(3-phenylpyrrolidin-1-yl)sulfonylphenol
CID 62133605
methyl 2-[3-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]phenyl]acetate
CID 68847182
1-[4-(3-phenylpyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 51055236
4-(3-phenylpyrrolidin-1-yl)sulfonylaniline
CID 62131922
2-[3-[(4-chlorophenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]acetic acid
CID 24877233

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid (CID 24863517) is 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid is O=C(O)Cc1cccc(C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid?
The InChIKey is NXEUYZRDSWEEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-16-4-6-17(7-5-16)25(23,24)20-9-8-15(12-20)14-3-1-2-13(10-14)11-18(21)22/h1-7,10,15H,8-9,11-12H2,(H,21,22).
What are the key properties of 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid?
2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid has a molecular weight of 363.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid is sourced from PubChem (CID 24863517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).