(2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide

C14H15FN2O4S — CID 97185724

IUPAC(2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide
SMILESCCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C14H15FN2O4S/c1-3-21-9(2)14(18)17-22(19,20)12-7-6-11(15)13-10(12)5-4-8-16-13/h4-9H,3H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyHRUUEACUKPJDMB-VIFPVBQESA-N
MW326.35 g/mol
LogP1.60
Rot. Bonds5

About (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide

(2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide (PubChem CID 97185724) has the molecular formula C14H15FN2O4S and a molecular weight of 326.35 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide
PubChem CID97185724
Molecular FormulaC14H15FN2O4S
Molecular Weight326.35 g/mol
Exact Mass326.07
IUPAC Name(2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide
SMILESCCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C14H15FN2O4S/c1-3-21-9(2)14(18)17-22(19,20)12-7-6-11(15)13-10(12)5-4-8-16-13/h4-9H,3H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyHRUUEACUKPJDMB-VIFPVBQESA-N
XLogP1.60
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide?
The IUPAC name of (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide (CID 97185724) is (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide?
The canonical SMILES for (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide is CCO[C@@H](C)C(=O)NS(=O)(=O)c1ccc(F)c2ncccc12.
What is the InChIKey of (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide?
The InChIKey is HRUUEACUKPJDMB-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15FN2O4S/c1-3-21-9(2)14(18)17-22(19,20)12-7-6-11(15)13-10(12)5-4-8-16-13/h4-9H,3H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide?
(2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide has a molecular weight of 326.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-(8-fluoroquinolin-5-yl)sulfonylpropanamide is sourced from PubChem (CID 97185724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).