1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid

C18H18FNO4S — CID 1044274

IUPAC1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18FNO4S/c19-15-6-8-16(9-7-15)25(23,24)20-12-10-18(11-13-20,17(21)22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22)
InChIKeyXZDAWXYZDBMQMI-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.63
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid

1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid (PubChem CID 1044274) has the molecular formula C18H18FNO4S and a molecular weight of 363.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
PubChem CID1044274
Molecular FormulaC18H18FNO4S
Molecular Weight363.41 g/mol
Exact Mass363.09
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18FNO4S/c19-15-6-8-16(9-7-15)25(23,24)20-12-10-18(11-13-20,17(21)22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22)
InChIKeyXZDAWXYZDBMQMI-UHFFFAOYSA-N
XLogP2.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid
CID 98738
1-(Benzenesulfonyl)-4-phenylpiperidine-4-carboxylic acid
CID 2555963
1-[(4-Chlorophenyl)sulfonyl]-4-phenyl-4-piperidinecarboxylic acid
CID 1242607
1-[(4-Bromophenyl)sulfonyl]-4-phenyl-4-piperidinecarboxylic acid
CID 1242611
1-[(3-Acetylphenyl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid
CID 2564287
1-(3-Chlorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid
CID 8097106
2-[1,1-Dioxo-2-[(2,4,5-trifluorophenyl)methyl]-3,4-dihydro-1lambda6,2-benzothiazin-4-yl]acetic acid
CID 57395821
[4-(1-Benzenesulfonyl-piperidin-4-yl)-6-fluoro-naphthalen-2-yl]-acetic acid
CID 71603975
2-[4-(Piperidine-1-sulfonyl)phenyl]acetic acid
CID 2389227
1-(Ethylsulfonyl)-4-phenylpiperidine-4-carboxylic acid
CID 4962899
1-(((4-Methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid
CID 229831
1-[(3,4-Difluorophenyl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid
CID 2564278

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid (CID 1044274) is 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid is O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is XZDAWXYZDBMQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO4S/c19-15-6-8-16(9-7-15)25(23,24)20-12-10-18(11-13-20,17(21)22)14-4-2-1-3-5-14/h1-9H,10-13H2,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid?
1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 363.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 1044274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).