ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate

C17H19NO4S — CID 895087

IUPACethyl 2-[4-(benzylsulfonylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-2-22-17(19)12-14-8-10-16(11-9-14)18-23(20,21)13-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3
InChIKeyDSXRZSKHQWAGNL-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.73
Rot. Bonds7

About ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate

ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate (PubChem CID 895087) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(benzylsulfonylamino)phenyl]acetate
PubChem CID895087
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Nameethyl 2-[4-(benzylsulfonylamino)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-2-22-17(19)12-14-8-10-16(11-9-14)18-23(20,21)13-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3
InChIKeyDSXRZSKHQWAGNL-UHFFFAOYSA-N
XLogP2.73
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate 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 ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate?
The IUPAC name of ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate (CID 895087) is ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate?
The canonical SMILES for ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate is CCOC(=O)Cc1ccc(NS(=O)(=O)Cc2ccccc2)cc1.
What is the InChIKey of ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate?
The InChIKey is DSXRZSKHQWAGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-2-22-17(19)12-14-8-10-16(11-9-14)18-23(20,21)13-15-6-4-3-5-7-15/h3-11,18H,2,12-13H2,1H3.
What are the key properties of ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate?
ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate has a molecular weight of 333.41 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(benzylsulfonylamino)phenyl]acetate is sourced from PubChem (CID 895087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).