4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

C25H29N3O3S — CID 127027387

IUPAC4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O3S/c26-21-10-12-23(13-11-21)32(29,30)27-22-14-16-28(17-15-22)18-19-31-25-9-5-4-8-24(25)20-6-2-1-3-7-20/h1-13,22,27H,14-19,26H2
InChIKeyCRTKVWSVBKHSCH-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.76
Rot. Bonds8

About 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide

4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 127027387) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID127027387
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC Name4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H29N3O3S/c26-21-10-12-23(13-11-21)32(29,30)27-22-14-16-28(17-15-22)18-19-31-25-9-5-4-8-24(25)20-6-2-1-3-7-20/h1-13,22,27H,14-19,26H2
InChIKeyCRTKVWSVBKHSCH-UHFFFAOYSA-N
XLogP3.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide (CID 127027387) is 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is Nc1ccc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cc1.
What is the InChIKey of 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is CRTKVWSVBKHSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c26-21-10-12-23(13-11-21)32(29,30)27-22-14-16-28(17-15-22)18-19-31-25-9-5-4-8-24(25)20-6-2-1-3-7-20/h1-13,22,27H,14-19,26H2.
What are the key properties of 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide?
4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 127027387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).