N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide

C19H21FN2O3S — CID 646527

IUPACN-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c20-16-7-4-8-18(14-16)26(24,25)22-11-9-17(10-12-22)21-19(23)13-15-5-2-1-3-6-15/h1-8,14,17H,9-13H2,(H,21,23)
InChIKeyOEISNFGIZAKQLX-UHFFFAOYSA-N
MW376.45 g/mol
LogP2.34
Rot. Bonds5

About N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide

N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide (PubChem CID 646527) has the molecular formula C19H21FN2O3S and a molecular weight of 376.45 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide
PubChem CID646527
Molecular FormulaC19H21FN2O3S
Molecular Weight376.45 g/mol
Exact Mass376.13
IUPAC NameN-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O3S/c20-16-7-4-8-18(14-16)26(24,25)22-11-9-17(10-12-22)21-19(23)13-15-5-2-1-3-6-15/h1-8,14,17H,9-13H2,(H,21,23)
InChIKeyOEISNFGIZAKQLX-UHFFFAOYSA-N
XLogP2.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide?
The IUPAC name of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide (CID 646527) is N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide is O=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide?
The InChIKey is OEISNFGIZAKQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O3S/c20-16-7-4-8-18(14-16)26(24,25)22-11-9-17(10-12-22)21-19(23)13-15-5-2-1-3-6-15/h1-8,14,17H,9-13H2,(H,21,23).
What are the key properties of N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide?
N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide has a molecular weight of 376.45 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-2-phenylacetamide is sourced from PubChem (CID 646527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).