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

C15H14FNO4S — CID 796321

IUPACethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO4S/c1-2-21-15(18)11-3-7-13(8-4-11)17-22(19,20)14-9-5-12(16)6-10-14/h3-10,17H,2H2,1H3
InChIKeyDEJGEIBAIIZTNR-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.80
Rot. Bonds5

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

ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate (PubChem CID 796321) has the molecular formula C15H14FNO4S and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
PubChem CID796321
Molecular FormulaC15H14FNO4S
Molecular Weight323.35 g/mol
Exact Mass323.06
IUPAC Nameethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H14FNO4S/c1-2-21-15(18)11-3-7-13(8-4-11)17-22(19,20)14-9-5-12(16)6-10-14/h3-10,17H,2H2,1H3
InChIKeyDEJGEIBAIIZTNR-UHFFFAOYSA-N
XLogP2.80
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(4-iodophenyl)sulfamoyl]benzoate
CID 26967680
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
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CID 25494260
[2-oxo-2-(propylamino)ethyl] 4-[(4-fluorophenyl)sulfamoyl]benzoate
CID 9329423
ethyl 4-[[4-(2-methoxy-2-oxoethoxy)phenyl]sulfonylamino]benzoate
CID 1308869
ethyl 2-chloro-4-[(4-fluorophenyl)sulfonylamino]benzoate
CID 38011078
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
N-(4-butanoylphenyl)-4-fluorobenzenesulfonamide
CID 5016299
ethyl 4-[[4-(prop-2-enylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109058528
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 42967803
ethyl 4-fluorobenzoate;hydrochloride
CID 175130638
ethyl (E)-3-[4-[(4-fluorophenyl)sulfonylamino]phenyl]prop-2-enoate
CID 35951214

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate (CID 796321) is ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate?
The InChIKey is DEJGEIBAIIZTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO4S/c1-2-21-15(18)11-3-7-13(8-4-11)17-22(19,20)14-9-5-12(16)6-10-14/h3-10,17H,2H2,1H3.
What are the key properties of ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate?
ethyl 4-[(4-fluorophenyl)sulfonylamino]benzoate has a molecular weight of 323.35 g/mol, XLogP of 2.80, 5 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]benzoate is sourced from PubChem (CID 796321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).