4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide

C20H24F2N2O3S — CID 71458648

IUPAC4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24F2N2O3S/c21-17-4-6-20(7-5-17)28(25,26)23-15-16-8-10-24(11-9-16)12-13-27-19-3-1-2-18(22)14-19/h1-7,14,16,23H,8-13,15H2
InChIKeyNTXUZPFGBADASP-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.03
Rot. Bonds8

About 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide

4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 71458648) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID71458648
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Name4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H24F2N2O3S/c21-17-4-6-20(7-5-17)28(25,26)23-15-16-8-10-24(11-9-16)12-13-27-19-3-1-2-18(22)14-19/h1-7,14,16,23H,8-13,15H2
InChIKeyNTXUZPFGBADASP-UHFFFAOYSA-N
XLogP3.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide (CID 71458648) is 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide is O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is NTXUZPFGBADASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c21-17-4-6-20(7-5-17)28(25,26)23-15-16-8-10-24(11-9-16)12-13-27-19-3-1-2-18(22)14-19/h1-7,14,16,23H,8-13,15H2.
What are the key properties of 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 410.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[2-(3-fluorophenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 71458648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).