N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide

C20H26N2O2S — CID 87121678

IUPACN-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1-c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H26N2O2S/c1-14-13-15(2)20(22-11-7-8-12-22)16(3)19(14)17-9-5-6-10-18(17)21-25(4,23)24/h5-6,9-10,13,21H,7-8,11-12H2,1-4H3
InChIKeyNWUWPJIKWGSKRX-UHFFFAOYSA-N
MW358.51 g/mol
LogP4.25
Rot. Bonds4

About N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide

N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide (PubChem CID 87121678) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide
PubChem CID87121678
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide
SMILESCc1cc(C)c(N2CCCC2)c(C)c1-c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C20H26N2O2S/c1-14-13-15(2)20(22-11-7-8-12-22)16(3)19(14)17-9-5-6-10-18(17)21-25(4,23)24/h5-6,9-10,13,21H,7-8,11-12H2,1-4H3
InChIKeyNWUWPJIKWGSKRX-UHFFFAOYSA-N
XLogP4.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide 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 N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide (CID 87121678) is N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide is Cc1cc(C)c(N2CCCC2)c(C)c1-c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide?
The InChIKey is NWUWPJIKWGSKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-14-13-15(2)20(22-11-7-8-12-22)16(3)19(14)17-9-5-6-10-18(17)21-25(4,23)24/h5-6,9-10,13,21H,7-8,11-12H2,1-4H3.
What are the key properties of N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide?
N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,6-trimethyl-3-pyrrolidin-1-ylphenyl)phenyl]methanesulfonamide is sourced from PubChem (CID 87121678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).