2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

C25H26F2N2O3S — CID 127039756

IUPAC2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C25H26F2N2O3S/c26-20-10-11-23(27)25(18-20)33(30,31)28-21-12-14-29(15-13-21)16-17-32-24-9-5-4-8-22(24)19-6-2-1-3-7-19/h1-11,18,21,28H,12-17H2
InChIKeyBHMZNXAAMHXXOD-UHFFFAOYSA-N
MW472.56 g/mol
LogP4.45
Rot. Bonds8

About 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 127039756) has the molecular formula C25H26F2N2O3S and a molecular weight of 472.56 g/mol. Its IUPAC name is 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID127039756
Molecular FormulaC25H26F2N2O3S
Molecular Weight472.56 g/mol
Exact Mass472.16
IUPAC Name2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C25H26F2N2O3S/c26-20-10-11-23(27)25(18-20)33(30,31)28-21-12-14-29(15-13-21)16-17-32-24-9-5-4-8-22(24)19-6-2-1-3-7-19/h1-11,18,21,28H,12-17H2
InChIKeyBHMZNXAAMHXXOD-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 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 127039756) is 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is BHMZNXAAMHXXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N2O3S/c26-20-10-11-23(27)25(18-20)33(30,31)28-21-12-14-29(15-13-21)16-17-32-24-9-5-4-8-22(24)19-6-2-1-3-7-19/h1-11,18,21,28H,12-17H2.
What are the key properties of 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
2,5-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 2,5-difluoro-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 127039756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).