ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate

C22H18ClFN2O5S — CID 2336521

IUPACethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O5S/c1-2-31-22(28)17-5-3-4-6-20(17)25-21(27)18-13-16(11-12-19(18)23)32(29,30)26-15-9-7-14(24)8-10-15/h3-13,26H,2H2,1H3,(H,25,27)
InChIKeyQRLJILUSJCCIGO-UHFFFAOYSA-N
MW476.91 g/mol
LogP4.71
Rot. Bonds7

About ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate

ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate (PubChem CID 2336521) has the molecular formula C22H18ClFN2O5S and a molecular weight of 476.91 g/mol. Its IUPAC name is ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate
PubChem CID2336521
Molecular FormulaC22H18ClFN2O5S
Molecular Weight476.91 g/mol
Exact Mass476.06
IUPAC Nameethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl
InChIInChI=1S/C22H18ClFN2O5S/c1-2-31-22(28)17-5-3-4-6-20(17)25-21(27)18-13-16(11-12-19(18)23)32(29,30)26-15-9-7-14(24)8-10-15/h3-13,26H,2H2,1H3,(H,25,27)
InChIKeyQRLJILUSJCCIGO-UHFFFAOYSA-N
XLogP4.71
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.91
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]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-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate (CID 2336521) is ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl.
What is the InChIKey of ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate?
The InChIKey is QRLJILUSJCCIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O5S/c1-2-31-22(28)17-5-3-4-6-20(17)25-21(27)18-13-16(11-12-19(18)23)32(29,30)26-15-9-7-14(24)8-10-15/h3-13,26H,2H2,1H3,(H,25,27).
What are the key properties of ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate?
ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate has a molecular weight of 476.91 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-chloro-5-[(4-fluorophenyl)sulfamoyl]benzoyl]amino]benzoate is sourced from PubChem (CID 2336521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).