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

C19H20FNO4S — CID 24862930

IUPAC2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H20FNO4S/c20-17-6-8-18(9-7-17)26(24,25)21-10-2-5-16(13-21)15-4-1-3-14(11-15)12-19(22)23/h1,3-4,6-9,11,16H,2,5,10,12-13H2,(H,22,23)
InChIKeyLEWBYPCTSGROMM-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.02
Rot. Bonds5

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

2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid (PubChem CID 24862930) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
PubChem CID24862930
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1
InChIInChI=1S/C19H20FNO4S/c20-17-6-8-18(9-7-17)26(24,25)21-10-2-5-16(13-21)15-4-1-3-14(11-15)12-19(22)23/h1,3-4,6-9,11,16H,2,5,10,12-13H2,(H,22,23)
InChIKeyLEWBYPCTSGROMM-UHFFFAOYSA-N
XLogP3.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid
CID 98738
1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid
CID 2555963
2-[4-(Piperidine-1-sulfonyl)phenyl]acetic acid
CID 2389227
2-[1,1-Dioxo-2-[(2,4,5-trifluorophenyl)methyl]-3,4-dihydro-1lambda6,2-benzothiazin-4-yl]acetic acid
CID 57395821
4-((N-(4-fluorobenzyl)-4-methylphenylsulfonamido)methyl)-cyclohexanecarboxylic acid
CID 23852834
4-((N-(4-fluorobenzyl)phenylsulfonamido)methyl)-cyclohexanecarboxylic acid
CID 25205186
[4-(1-Benzenesulfonyl-piperidin-4-yl)-6-fluoro-naphthalen-2-yl]-acetic acid
CID 71603975
{6-Fluoro-4-[1-(toluene-4-sulfonyl)-piperidin-4-yl]-naphthalen-2-yl}-acetic acid
CID 71603976
{6-Fluoro-3-methyl-4-[4-(piperidine-1-sulfonyl)-phenyl]-naphthalen-2-yl}-acetic acid
CID 71711509
4-{4-[4-(3,4-Difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
CID 145886786
1-[(3,4-Difluorophenyl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid
CID 2564278
2-[2-[(2-Fluorophenyl)methyl]-1,1-dioxo-3,4-dihydro-1lambda6,2-benzothiazin-4-yl]acetic acid
CID 57394062

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid (CID 24862930) is 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid is O=C(O)Cc1cccc(C2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1.
What is the InChIKey of 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid?
The InChIKey is LEWBYPCTSGROMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c20-17-6-8-18(9-7-17)26(24,25)21-10-2-5-16(13-21)15-4-1-3-14(11-15)12-19(22)23/h1,3-4,6-9,11,16H,2,5,10,12-13H2,(H,22,23).
What are the key properties of 2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid?
2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid has a molecular weight of 377.44 g/mol, XLogP of 3.02, 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)sulfonylpiperidin-3-yl]phenyl]acetic acid is sourced from PubChem (CID 24862930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).