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

C20H23NO4S — CID 24862857

IUPAC2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3cccc(CC(=O)O)c3)C2)cc1
InChIInChI=1S/C20H23NO4S/c1-15-7-9-19(10-8-15)26(24,25)21-11-3-6-18(14-21)17-5-2-4-16(12-17)13-20(22)23/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3,(H,22,23)
InChIKeyZFKASMUAVGQSBP-UHFFFAOYSA-N
MW373.47 g/mol
LogP3.19
Rot. Bonds5

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

2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid (PubChem CID 24862857) has the molecular formula C20H23NO4S and a molecular weight of 373.47 g/mol. Its IUPAC name is 2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
PubChem CID24862857
Molecular FormulaC20H23NO4S
Molecular Weight373.47 g/mol
Exact Mass373.13
IUPAC Name2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3cccc(CC(=O)O)c3)C2)cc1
InChIInChI=1S/C20H23NO4S/c1-15-7-9-19(10-8-15)26(24,25)21-11-3-6-18(14-21)17-5-2-4-16(12-17)13-20(22)23/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3,(H,22,23)
InChIKeyZFKASMUAVGQSBP-UHFFFAOYSA-N
XLogP3.19
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[1-(4-methylphenyl)sulfonylpiperidin-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-methylsulfonylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 24863427
2-[3-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]phenyl]acetic acid
CID 24863517
2-[3-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methylphenyl]acetic acid
CID 24863259
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
methyl 2-[3-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]phenyl]acetate
CID 68847182
2-[4-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid
CID 129384889
2-[3-[1-(4-fluorophenyl)sulfonyl-4-phenylpiperidin-3-yl]phenyl]acetic acid
CID 24863183
methyl 2-[3-(1-pyridin-3-ylsulfonylpiperidin-3-yl)phenyl]acetate
CID 68848076
methyl 2-[3-(1-benzylsulfonylpiperidin-3-yl)phenyl]acetate
CID 68843715
1-[4-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608668
N,N-dimethyl-4-[(3S)-3-phenylpiperidin-1-yl]sulfonylbenzenesulfonamide
CID 51686303
N-benzyl-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]propanamide
CID 91903725

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid (CID 24862857) is 2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid is Cc1ccc(S(=O)(=O)N2CCCC(c3cccc(CC(=O)O)c3)C2)cc1.
What is the InChIKey of 2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid?
The InChIKey is ZFKASMUAVGQSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4S/c1-15-7-9-19(10-8-15)26(24,25)21-11-3-6-18(14-21)17-5-2-4-16(12-17)13-20(22)23/h2,4-5,7-10,12,18H,3,6,11,13-14H2,1H3,(H,22,23).
What are the key properties of 2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid?
2-[3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid has a molecular weight of 373.47 g/mol, XLogP of 3.19, 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-methylphenyl)sulfonylpiperidin-3-yl]phenyl]acetic acid is sourced from PubChem (CID 24862857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).