N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide

C24H27N3O3S — CID 127027388

IUPACN-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C24H27N3O3S/c28-31(29,22-9-6-14-25-19-22)26-21-12-15-27(16-13-21)17-18-30-24-11-5-4-10-23(24)20-7-2-1-3-8-20/h1-11,14,19,21,26H,12-13,15-18H2
InChIKeyFKPVJOSGKQVIBO-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.57
Rot. Bonds8

About N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide

N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide (PubChem CID 127027388) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
PubChem CID127027388
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C24H27N3O3S/c28-31(29,22-9-6-14-25-19-22)26-21-12-15-27(16-13-21)17-18-30-24-11-5-4-10-23(24)20-7-2-1-3-8-20/h1-11,14,19,21,26H,12-13,15-18H2
InChIKeyFKPVJOSGKQVIBO-UHFFFAOYSA-N
XLogP3.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide (CID 127027388) is N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide is O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccnc1.
What is the InChIKey of N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide?
The InChIKey is FKPVJOSGKQVIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c28-31(29,22-9-6-14-25-19-22)26-21-12-15-27(16-13-21)17-18-30-24-11-5-4-10-23(24)20-7-2-1-3-8-20/h1-11,14,19,21,26H,12-13,15-18H2.
What are the key properties of N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide?
N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide has a molecular weight of 437.57 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 127027388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).