1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide

C20H23FN2O4S — CID 78866856

IUPAC1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23FN2O4S/c21-16-11-9-15(10-12-16)19(24)14-22-20(25)18-8-4-5-13-23(18)28(26,27)17-6-2-1-3-7-17/h1-3,6-7,9-12,18-19,24H,4-5,8,13-14H2,(H,22,25)
InChIKeyGWICJHFRYUBHLO-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.22
Rot. Bonds6

About 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide

1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide (PubChem CID 78866856) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
PubChem CID78866856
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC Name1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide
SMILESO=C(NCC(O)c1ccc(F)cc1)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H23FN2O4S/c21-16-11-9-15(10-12-16)19(24)14-22-20(25)18-8-4-5-13-23(18)28(26,27)17-6-2-1-3-7-17/h1-3,6-7,9-12,18-19,24H,4-5,8,13-14H2,(H,22,25)
InChIKeyGWICJHFRYUBHLO-UHFFFAOYSA-N
XLogP2.22
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide (CID 78866856) is 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide is O=C(NCC(O)c1ccc(F)cc1)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide?
The InChIKey is GWICJHFRYUBHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c21-16-11-9-15(10-12-16)19(24)14-22-20(25)18-8-4-5-13-23(18)28(26,27)17-6-2-1-3-7-17/h1-3,6-7,9-12,18-19,24H,4-5,8,13-14H2,(H,22,25).
What are the key properties of 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide?
1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidine-2-carboxamide is sourced from PubChem (CID 78866856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).