(2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate

C18H20FNO4S — CID 2347285

IUPAC(2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C18H20FNO4S/c1-3-20(4-2)25(22,23)16-10-7-9-14(12-16)18(21)24-13-15-8-5-6-11-17(15)19/h5-12H,3-4,13H2,1-2H3
InChIKeyQLPGUVFTAUWVOI-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.21
Rot. Bonds7

About (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate

(2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate (PubChem CID 2347285) has the molecular formula C18H20FNO4S and a molecular weight of 365.43 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate
PubChem CID2347285
Molecular FormulaC18H20FNO4S
Molecular Weight365.43 g/mol
Exact Mass365.11
IUPAC Name(2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C18H20FNO4S/c1-3-20(4-2)25(22,23)16-10-7-9-14(12-16)18(21)24-13-15-8-5-6-11-17(15)19/h5-12H,3-4,13H2,1-2H3
InChIKeyQLPGUVFTAUWVOI-UHFFFAOYSA-N
XLogP3.21
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate?
The IUPAC name of (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate (CID 2347285) is (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2F)c1.
What is the InChIKey of (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate?
The InChIKey is QLPGUVFTAUWVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4S/c1-3-20(4-2)25(22,23)16-10-7-9-14(12-16)18(21)24-13-15-8-5-6-11-17(15)19/h5-12H,3-4,13H2,1-2H3.
What are the key properties of (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate?
(2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate has a molecular weight of 365.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 2347285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).