3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide

C23H32N2O3S — CID 70646019

IUPAC3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)N(CCc2ccc(O)cc2)C2CCNCC2)c1
InChIInChI=1S/C23H32N2O3S/c1-23(2,3)19-5-4-6-22(17-19)29(27,28)25(20-11-14-24-15-12-20)16-13-18-7-9-21(26)10-8-18/h4-10,17,20,24,26H,11-16H2,1-3H3
InChIKeyCQPCGKRJGGIEFI-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.68
Rot. Bonds6

About 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide

3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 70646019) has the molecular formula C23H32N2O3S and a molecular weight of 416.59 g/mol. Its IUPAC name is 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide
PubChem CID70646019
Molecular FormulaC23H32N2O3S
Molecular Weight416.59 g/mol
Exact Mass416.21
IUPAC Name3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide
SMILESCC(C)(C)c1cccc(S(=O)(=O)N(CCc2ccc(O)cc2)C2CCNCC2)c1
InChIInChI=1S/C23H32N2O3S/c1-23(2,3)19-5-4-6-22(17-19)29(27,28)25(20-11-14-24-15-12-20)16-13-18-7-9-21(26)10-8-18/h4-10,17,20,24,26H,11-16H2,1-3H3
InChIKeyCQPCGKRJGGIEFI-UHFFFAOYSA-N
XLogP3.68
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide 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-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide (CID 70646019) is 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide is CC(C)(C)c1cccc(S(=O)(=O)N(CCc2ccc(O)cc2)C2CCNCC2)c1.
What is the InChIKey of 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is CQPCGKRJGGIEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O3S/c1-23(2,3)19-5-4-6-22(17-19)29(27,28)25(20-11-14-24-15-12-20)16-13-18-7-9-21(26)10-8-18/h4-10,17,20,24,26H,11-16H2,1-3H3.
What are the key properties of 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide?
3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 416.59 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-[2-(4-hydroxyphenyl)ethyl]-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 70646019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).