[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate

C15H13ClN2O5S — CID 2488904

IUPAC[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClN2O5S/c16-11-3-1-2-10(8-11)15(20)23-9-14(19)18-12-4-6-13(7-5-12)24(17,21)22/h1-8H,9H2,(H,18,19)(H2,17,21,22)
InChIKeyYPNOGXJVRXPISI-UHFFFAOYSA-N
MW368.80 g/mol
LogP1.78
Rot. Bonds5

About [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate

[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate (PubChem CID 2488904) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate
PubChem CID2488904
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC Name[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate
SMILESNS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H13ClN2O5S/c16-11-3-1-2-10(8-11)15(20)23-9-14(19)18-12-4-6-13(7-5-12)24(17,21)22/h1-8H,9H2,(H,18,19)(H2,17,21,22)
InChIKeyYPNOGXJVRXPISI-UHFFFAOYSA-N
XLogP1.78
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate 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 [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate?
The IUPAC name of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate (CID 2488904) is [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate.
What is the SMILES notation for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate?
The canonical SMILES for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate is NS(=O)(=O)c1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate?
The InChIKey is YPNOGXJVRXPISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c16-11-3-1-2-10(8-11)15(20)23-9-14(19)18-12-4-6-13(7-5-12)24(17,21)22/h1-8H,9H2,(H,18,19)(H2,17,21,22).
What are the key properties of [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate?
[2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate has a molecular weight of 368.80 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-sulfamoylanilino)ethyl] 3-chlorobenzoate is sourced from PubChem (CID 2488904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).