N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide

C29H37ClN2O5SSi — CID 18615070

IUPACN-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide
SMILESCC[Si](CC)(CC)OC(CNCCOc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C29H37ClN2O5SSi/c1-5-39(6-2,7-3)37-29(21-12-15-25(30)26(18-21)32-38(4,33)34)20-31-16-17-35-22-13-14-24-23-10-8-9-11-27(23)36-28(24)19-22/h8-15,18-19,29,31-32H,5-7,16-17,20H2,1-4H3
InChIKeyYNNFYFVSXMISTH-UHFFFAOYSA-N
MW589.23 g/mol
LogP7.34
Rot. Bonds14

About N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide

N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide (PubChem CID 18615070) has the molecular formula C29H37ClN2O5SSi and a molecular weight of 589.23 g/mol. Its IUPAC name is N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide
PubChem CID18615070
Molecular FormulaC29H37ClN2O5SSi
Molecular Weight589.23 g/mol
Exact Mass588.19
IUPAC NameN-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide
SMILESCC[Si](CC)(CC)OC(CNCCOc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(NS(C)(=O)=O)c1
InChIInChI=1S/C29H37ClN2O5SSi/c1-5-39(6-2,7-3)37-29(21-12-15-25(30)26(18-21)32-38(4,33)34)20-31-16-17-35-22-13-14-24-23-10-8-9-11-27(23)36-28(24)19-22/h8-15,18-19,29,31-32H,5-7,16-17,20H2,1-4H3
InChIKeyYNNFYFVSXMISTH-UHFFFAOYSA-N
XLogP7.34
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.23
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]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-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide (CID 18615070) is N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide is CC[Si](CC)(CC)OC(CNCCOc1ccc2c(c1)oc1ccccc12)c1ccc(Cl)c(NS(C)(=O)=O)c1.
What is the InChIKey of N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide?
The InChIKey is YNNFYFVSXMISTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37ClN2O5SSi/c1-5-39(6-2,7-3)37-29(21-12-15-25(30)26(18-21)32-38(4,33)34)20-31-16-17-35-22-13-14-24-23-10-8-9-11-27(23)36-28(24)19-22/h8-15,18-19,29,31-32H,5-7,16-17,20H2,1-4H3.
What are the key properties of N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide?
N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide has a molecular weight of 589.23 g/mol, XLogP of 7.34, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[2-(2-dibenzofuran-3-yloxyethylamino)-1-triethylsilyloxyethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 18615070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).