3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide

C26H29ClN2O4S — CID 132938109

IUPAC3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CC(O)COc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C26H29ClN2O4S/c27-21-9-6-10-24(17-21)34(31,32)28-22-13-15-29(16-14-22)18-23(30)19-33-26-12-5-4-11-25(26)20-7-2-1-3-8-20/h1-12,17,22-23,28,30H,13-16,18-19H2
InChIKeyJFHVZERFQKQSFW-UHFFFAOYSA-N
MW501.05 g/mol
LogP4.19
Rot. Bonds9

About 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide

3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 132938109) has the molecular formula C26H29ClN2O4S and a molecular weight of 501.05 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
PubChem CID132938109
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.05 g/mol
Exact Mass500.15
IUPAC Name3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CC(O)COc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C26H29ClN2O4S/c27-21-9-6-10-24(17-21)34(31,32)28-22-13-15-29(16-14-22)18-23(30)19-33-26-12-5-4-11-25(26)20-7-2-1-3-8-20/h1-12,17,22-23,28,30H,13-16,18-19H2
InChIKeyJFHVZERFQKQSFW-UHFFFAOYSA-N
XLogP4.19
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.05
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]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 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide (CID 132938109) is 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CC(O)COc2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is JFHVZERFQKQSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O4S/c27-21-9-6-10-24(17-21)34(31,32)28-22-13-15-29(16-14-22)18-23(30)19-33-26-12-5-4-11-25(26)20-7-2-1-3-8-20/h1-12,17,22-23,28,30H,13-16,18-19H2.
What are the key properties of 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide?
3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 501.05 g/mol, XLogP of 4.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[2-hydroxy-3-(2-phenylphenoxy)propyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 132938109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).