3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

C25H26F2N2O3S — CID 71455000

IUPAC3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C25H26F2N2O3S/c26-23-11-10-21(18-24(23)27)33(30,31)28-20-12-14-29(15-13-20)16-17-32-25-9-5-4-8-22(25)19-6-2-1-3-7-19/h1-11,18,20,28H,12-17H2
InChIKeyOJWOIBDHQBDTRR-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.45
Rot. Bonds8

About 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 71455000) has the molecular formula C25H26F2N2O3S and a molecular weight of 472.56 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID71455000
Molecular FormulaC25H26F2N2O3S
Molecular Weight472.56 g/mol
Exact Mass472.16
IUPAC Name3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)c(F)c1
InChIInChI=1S/C25H26F2N2O3S/c26-23-11-10-21(18-24(23)27)33(30,31)28-20-12-14-29(15-13-20)16-17-32-25-9-5-4-8-22(25)19-6-2-1-3-7-19/h1-11,18,20,28H,12-17H2
InChIKeyOJWOIBDHQBDTRR-UHFFFAOYSA-N
XLogP4.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.56
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 71455000) is 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is OJWOIBDHQBDTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O3S/c26-23-11-10-21(18-24(23)27)33(30,31)28-20-12-14-29(15-13-20)16-17-32-25-9-5-4-8-22(25)19-6-2-1-3-7-19/h1-11,18,20,28H,12-17H2.
What are the key properties of 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 472.56 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 71455000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).