[2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate

C19H19ClFNO5S — CID 2646253

IUPAC[2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C19H19ClFNO5S/c1-3-22(4-2)28(25,26)18-11-14(8-9-16(18)21)19(24)27-12-17(23)13-6-5-7-15(20)10-13/h5-11H,3-4,12H2,1-2H3
InChIKeyZMDKGGXAMNAGRY-UHFFFAOYSA-N
MW427.88 g/mol
LogP3.55
Rot. Bonds8

About [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate

[2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate (PubChem CID 2646253) has the molecular formula C19H19ClFNO5S and a molecular weight of 427.88 g/mol. Its IUPAC name is [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Name[2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
PubChem CID2646253
Molecular FormulaC19H19ClFNO5S
Molecular Weight427.88 g/mol
Exact Mass427.07
IUPAC Name[2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(Cl)c2)ccc1F
InChIInChI=1S/C19H19ClFNO5S/c1-3-22(4-2)28(25,26)18-11-14(8-9-16(18)21)19(24)27-12-17(23)13-6-5-7-15(20)10-13/h5-11H,3-4,12H2,1-2H3
InChIKeyZMDKGGXAMNAGRY-UHFFFAOYSA-N
XLogP3.55
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.88
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate (CID 2646253) is [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate is CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(Cl)c2)ccc1F.
What is the InChIKey of [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
The InChIKey is ZMDKGGXAMNAGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO5S/c1-3-22(4-2)28(25,26)18-11-14(8-9-16(18)21)19(24)27-12-17(23)13-6-5-7-15(20)10-13/h5-11H,3-4,12H2,1-2H3.
What are the key properties of [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate?
[2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate has a molecular weight of 427.88 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 2646253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).