propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate

C18H19FN2O5S — CID 19928085

IUPACpropyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(=O)NS(=O)(=O)CCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H19FN2O5S/c1-2-10-26-18(23)16-8-5-14(12-20-16)17(22)21-27(24,25)11-9-13-3-6-15(19)7-4-13/h3-8,12H,2,9-11H2,1H3,(H,21,22)
InChIKeyJZEISEUIVCLQTG-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.09
Rot. Bonds8

About propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate

propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate (PubChem CID 19928085) has the molecular formula C18H19FN2O5S and a molecular weight of 394.42 g/mol. Its IUPAC name is propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namepropyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
PubChem CID19928085
Molecular FormulaC18H19FN2O5S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Namepropyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate
SMILESCCCOC(=O)c1ccc(C(=O)NS(=O)(=O)CCc2ccc(F)cc2)cn1
InChIInChI=1S/C18H19FN2O5S/c1-2-10-26-18(23)16-8-5-14(12-20-16)17(22)21-27(24,25)11-9-13-3-6-15(19)7-4-13/h3-8,12H,2,9-11H2,1H3,(H,21,22)
InChIKeyJZEISEUIVCLQTG-UHFFFAOYSA-N
XLogP2.09
TPSA102.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate (CID 19928085) is propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate is CCCOC(=O)c1ccc(C(=O)NS(=O)(=O)CCc2ccc(F)cc2)cn1.
What is the InChIKey of propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is JZEISEUIVCLQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O5S/c1-2-10-26-18(23)16-8-5-14(12-20-16)17(22)21-27(24,25)11-9-13-3-6-15(19)7-4-13/h3-8,12H,2,9-11H2,1H3,(H,21,22).
What are the key properties of propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate?
propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 394.42 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-[2-(4-fluorophenyl)ethylsulfonylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 19928085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).