methyl 2-(benzylsulfonylamino)benzoate

C15H15NO4S — CID 798756

IUPACmethyl 2-(benzylsulfonylamino)benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H15NO4S/c1-20-15(17)13-9-5-6-10-14(13)16-21(18,19)11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3
InChIKeyFPHLABLGSRDSLV-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.42
Rot. Bonds5

About methyl 2-(benzylsulfonylamino)benzoate

methyl 2-(benzylsulfonylamino)benzoate (PubChem CID 798756) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-(benzylsulfonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(benzylsulfonylamino)benzoate
PubChem CID798756
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 2-(benzylsulfonylamino)benzoate
SMILESCOC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H15NO4S/c1-20-15(17)13-9-5-6-10-14(13)16-21(18,19)11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3
InChIKeyFPHLABLGSRDSLV-UHFFFAOYSA-N
XLogP2.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(benzylsulfonylamino)benzoate 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 methyl 2-(benzylsulfonylamino)benzoate?
The IUPAC name of methyl 2-(benzylsulfonylamino)benzoate (CID 798756) is methyl 2-(benzylsulfonylamino)benzoate.
What is the SMILES notation for methyl 2-(benzylsulfonylamino)benzoate?
The canonical SMILES for methyl 2-(benzylsulfonylamino)benzoate is COC(=O)c1ccccc1NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of methyl 2-(benzylsulfonylamino)benzoate?
The InChIKey is FPHLABLGSRDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-15(17)13-9-5-6-10-14(13)16-21(18,19)11-12-7-3-2-4-8-12/h2-10,16H,11H2,1H3.
What are the key properties of methyl 2-(benzylsulfonylamino)benzoate?
methyl 2-(benzylsulfonylamino)benzoate has a molecular weight of 305.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(benzylsulfonylamino)benzoate is sourced from PubChem (CID 798756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).