ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate

C16H16FNO4S — CID 60580715

IUPACethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO4S/c1-2-22-16(19)13-5-3-12(4-6-13)11-18-23(20,21)15-9-7-14(17)8-10-15/h3-10,18H,2,11H2,1H3
InChIKeyVXCOMKAVRIYXIE-UHFFFAOYSA-N
MW337.37 g/mol
LogP2.48
Rot. Bonds6

About ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate

ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate (PubChem CID 60580715) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate
PubChem CID60580715
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Nameethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate
SMILESCCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H16FNO4S/c1-2-22-16(19)13-5-3-12(4-6-13)11-18-23(20,21)15-9-7-14(17)8-10-15/h3-10,18H,2,11H2,1H3
InChIKeyVXCOMKAVRIYXIE-UHFFFAOYSA-N
XLogP2.48
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]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 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate?
The IUPAC name of ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate (CID 60580715) is ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate.
What is the SMILES notation for ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate?
The canonical SMILES for ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate is CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate?
The InChIKey is VXCOMKAVRIYXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-2-22-16(19)13-5-3-12(4-6-13)11-18-23(20,21)15-9-7-14(17)8-10-15/h3-10,18H,2,11H2,1H3.
What are the key properties of ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate?
ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate has a molecular weight of 337.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]benzoate is sourced from PubChem (CID 60580715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).