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

C25H24FNO4S — CID 24863183

IUPAC2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C2CN(S(=O)(=O)c3ccc(F)cc3)CCC2c2ccccc2)c1
InChIInChI=1S/C25H24FNO4S/c26-21-9-11-22(12-10-21)32(30,31)27-14-13-23(19-6-2-1-3-7-19)24(17-27)20-8-4-5-18(15-20)16-25(28)29/h1-12,15,23-24H,13-14,16-17H2,(H,28,29)
InChIKeyAPXXLJRASRHFMQ-UHFFFAOYSA-N
MW453.54 g/mol
LogP4.41
Rot. Bonds6

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

2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid (PubChem CID 24863183) has the molecular formula C25H24FNO4S and a molecular weight of 453.54 g/mol. Its IUPAC name is 2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid
PubChem CID24863183
Molecular FormulaC25H24FNO4S
Molecular Weight453.54 g/mol
Exact Mass453.14
IUPAC Name2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(C2CN(S(=O)(=O)c3ccc(F)cc3)CCC2c2ccccc2)c1
InChIInChI=1S/C25H24FNO4S/c26-21-9-11-22(12-10-21)32(30,31)27-14-13-23(19-6-2-1-3-7-19)24(17-27)20-8-4-5-18(15-20)16-25(28)29/h1-12,15,23-24H,13-14,16-17H2,(H,28,29)
InChIKeyAPXXLJRASRHFMQ-UHFFFAOYSA-N
XLogP4.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid
CID 24863517
methyl 2-[3-[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]phenyl]acetate
CID 24862933
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
2-[3-[1-(4-fluorophenyl)-4-methylpiperidin-3-yl]phenyl]acetic acid;formaldehyde
CID 143596671
(3S)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 93083334
2-[3-[(4-chlorophenyl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]phenyl]acetic acid
CID 24877233
1-(4-fluorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 38294766
(3R)-N-[3-(benzylamino)-3-oxopropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 41062304
2-[4-[1-(benzenesulfonyl)piperidin-4-yl]oxy-6-fluoronaphthalen-2-yl]acetic acid
CID 46205202

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid (CID 24863183) is 2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid is O=C(O)Cc1cccc(C2CN(S(=O)(=O)c3ccc(F)cc3)CCC2c2ccccc2)c1.
What is the InChIKey of 2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid?
The InChIKey is APXXLJRASRHFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FNO4S/c26-21-9-11-22(12-10-21)32(30,31)27-14-13-23(19-6-2-1-3-7-19)24(17-27)20-8-4-5-18(15-20)16-25(28)29/h1-12,15,23-24H,13-14,16-17H2,(H,28,29).
What are the key properties of 2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid?
2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid has a molecular weight of 453.54 g/mol, XLogP of 4.41, 6 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)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid is sourced from PubChem (CID 24863183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).