ethyl 2-(benzenesulfonamido)benzoate

C15H15NO4S — CID 627734

IUPACethyl 2-(benzenesulfonamido)benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-2-20-15(17)13-10-6-7-11-14(13)16-21(18,19)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3
InChIKeyVCQDIVAWQBPCHU-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.66
Rot. Bonds5

About ethyl 2-(benzenesulfonamido)benzoate

ethyl 2-(benzenesulfonamido)benzoate (PubChem CID 627734) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is ethyl 2-(benzenesulfonamido)benzoate.

Molecular Properties

Compound Nameethyl 2-(benzenesulfonamido)benzoate
PubChem CID627734
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Nameethyl 2-(benzenesulfonamido)benzoate
SMILESCCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H15NO4S/c1-2-20-15(17)13-10-6-7-11-14(13)16-21(18,19)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3
InChIKeyVCQDIVAWQBPCHU-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(benzenesulfonamido)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 ethyl 2-(benzenesulfonamido)benzoate?
The IUPAC name of ethyl 2-(benzenesulfonamido)benzoate (CID 627734) is ethyl 2-(benzenesulfonamido)benzoate.
What is the SMILES notation for ethyl 2-(benzenesulfonamido)benzoate?
The canonical SMILES for ethyl 2-(benzenesulfonamido)benzoate is CCOC(=O)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of ethyl 2-(benzenesulfonamido)benzoate?
The InChIKey is VCQDIVAWQBPCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-2-20-15(17)13-10-6-7-11-14(13)16-21(18,19)12-8-4-3-5-9-12/h3-11,16H,2H2,1H3.
What are the key properties of ethyl 2-(benzenesulfonamido)benzoate?
ethyl 2-(benzenesulfonamido)benzoate has a molecular weight of 305.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(benzenesulfonamido)benzoate is sourced from PubChem (CID 627734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).