N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide

C16H23FN2O3S — CID 71784631

IUPACN-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
InChIInChI=1S/C16H23FN2O3S/c1-2-23(21,22)18-12-15(19-9-4-3-8-16(19)20)11-13-6-5-7-14(17)10-13/h5-7,10,15,18H,2-4,8-9,11-12H2,1H3
InChIKeyFQZZEODAXDPKBS-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.69
Rot. Bonds7

About N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide

N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide (PubChem CID 71784631) has the molecular formula C16H23FN2O3S and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide
PubChem CID71784631
Molecular FormulaC16H23FN2O3S
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC NameN-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O
InChIInChI=1S/C16H23FN2O3S/c1-2-23(21,22)18-12-15(19-9-4-3-8-16(19)20)11-13-6-5-7-14(17)10-13/h5-7,10,15,18H,2-4,8-9,11-12H2,1H3
InChIKeyFQZZEODAXDPKBS-UHFFFAOYSA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide?
The IUPAC name of N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide (CID 71784631) is N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide?
The canonical SMILES for N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide is CCS(=O)(=O)NCC(Cc1cccc(F)c1)N1CCCCC1=O.
What is the InChIKey of N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide?
The InChIKey is FQZZEODAXDPKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3S/c1-2-23(21,22)18-12-15(19-9-4-3-8-16(19)20)11-13-6-5-7-14(17)10-13/h5-7,10,15,18H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide?
N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide has a molecular weight of 342.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)-2-(2-oxopiperidin-1-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 71784631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).