N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide

C23H23N3O4S — CID 24733738

IUPACN-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)N1CCC(Oc2cccc(-c3cccnc3)c2)CC1
InChIInChI=1S/C23H23N3O4S/c27-23(25-31(28,29)22-9-2-1-3-10-22)26-14-11-20(12-15-26)30-21-8-4-6-18(16-21)19-7-5-13-24-17-19/h1-10,13,16-17,20H,11-12,14-15H2,(H,25,27)
InChIKeyWHNNRSWWSOQECS-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.69
Rot. Bonds5

About N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide

N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide (PubChem CID 24733738) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide
PubChem CID24733738
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1)N1CCC(Oc2cccc(-c3cccnc3)c2)CC1
InChIInChI=1S/C23H23N3O4S/c27-23(25-31(28,29)22-9-2-1-3-10-22)26-14-11-20(12-15-26)30-21-8-4-6-18(16-21)19-7-5-13-24-17-19/h1-10,13,16-17,20H,11-12,14-15H2,(H,25,27)
InChIKeyWHNNRSWWSOQECS-UHFFFAOYSA-N
XLogP3.69
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide (CID 24733738) is N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide is O=C(NS(=O)(=O)c1ccccc1)N1CCC(Oc2cccc(-c3cccnc3)c2)CC1.
What is the InChIKey of N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide?
The InChIKey is WHNNRSWWSOQECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c27-23(25-31(28,29)22-9-2-1-3-10-22)26-14-11-20(12-15-26)30-21-8-4-6-18(16-21)19-7-5-13-24-17-19/h1-10,13,16-17,20H,11-12,14-15H2,(H,25,27).
What are the key properties of N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide?
N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-4-(3-pyridin-3-ylphenoxy)piperidine-1-carboxamide is sourced from PubChem (CID 24733738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).