(4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

C25H22FNO5S — CID 26361230

IUPAC(4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(c1ccccc1)c1ccc(OC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C25H22FNO5S/c26-22-8-4-5-9-23(22)33(30,31)27-16-14-20(15-17-27)25(29)32-21-12-10-19(11-13-21)24(28)18-6-2-1-3-7-18/h1-13,20H,14-17H2
InChIKeyULRDYDGJLIBOCM-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.06
Rot. Bonds6

About (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

(4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 26361230) has the molecular formula C25H22FNO5S and a molecular weight of 467.52 g/mol. Its IUPAC name is (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name(4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID26361230
Molecular FormulaC25H22FNO5S
Molecular Weight467.52 g/mol
Exact Mass467.12
IUPAC Name(4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(c1ccccc1)c1ccc(OC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1
InChIInChI=1S/C25H22FNO5S/c26-22-8-4-5-9-23(22)33(30,31)27-16-14-20(15-17-27)25(29)32-21-12-10-19(11-13-21)24(28)18-6-2-1-3-7-18/h1-13,20H,14-17H2
InChIKeyULRDYDGJLIBOCM-UHFFFAOYSA-N
XLogP4.06
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 26097310
phenyl 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 2668352
(4-methoxycarbonylphenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 30279484
(4-tert-butyl-2-methylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 2522750
[4-(4-chlorobenzoyl)phenyl] 1-methylsulfonylpiperidine-4-carboxylate
CID 32759546
(2-fluorophenyl) 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 78777102
pent-4-ynyl 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate
CID 86827180
1-(2-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 26577975
[4-[(2-fluorophenyl)sulfonyl-methylamino]phenyl] cyclopropanecarboxylate
CID 26208288
(4-benzoylphenyl) (3R)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 8572256
(3,4-dimethylphenyl) 1-(2,3-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 2683402
N-ethyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 40630207

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate (CID 26361230) is (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate is O=C(c1ccccc1)c1ccc(OC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1.
What is the InChIKey of (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is ULRDYDGJLIBOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO5S/c26-22-8-4-5-9-23(22)33(30,31)27-16-14-20(15-17-27)25(29)32-21-12-10-19(11-13-21)24(28)18-6-2-1-3-7-18/h1-13,20H,14-17H2.
What are the key properties of (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate?
(4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 467.52 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 26361230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).