4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide

C17H25FN2O3S — CID 56879103

IUPAC4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O3S/c18-16-6-1-4-14(12-16)8-9-15-5-2-10-20(13-15)17(21)7-3-11-24(19,22)23/h1,4,6,12,15H,2-3,5,7-11,13H2,(H2,19,22,23)
InChIKeyOTMDBTZFIMUBQK-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.07
Rot. Bonds7

About 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide

4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide (PubChem CID 56879103) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide.

Molecular Properties

Compound Name4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
PubChem CID56879103
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide
SMILESNS(=O)(=O)CCCC(=O)N1CCCC(CCc2cccc(F)c2)C1
InChIInChI=1S/C17H25FN2O3S/c18-16-6-1-4-14(12-16)8-9-15-5-2-10-20(13-15)17(21)7-3-11-24(19,22)23/h1,4,6,12,15H,2-3,5,7-11,13H2,(H2,19,22,23)
InChIKeyOTMDBTZFIMUBQK-UHFFFAOYSA-N
XLogP2.07
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The IUPAC name of 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide (CID 56879103) is 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide.
What is the SMILES notation for 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The canonical SMILES for 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide is NS(=O)(=O)CCCC(=O)N1CCCC(CCc2cccc(F)c2)C1.
What is the InChIKey of 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
The InChIKey is OTMDBTZFIMUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c18-16-6-1-4-14(12-16)8-9-15-5-2-10-20(13-15)17(21)7-3-11-24(19,22)23/h1,4,6,12,15H,2-3,5,7-11,13H2,(H2,19,22,23).
What are the key properties of 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide?
4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide has a molecular weight of 356.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-4-oxobutane-1-sulfonamide is sourced from PubChem (CID 56879103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).