N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide

C17H19FN2O4S — CID 99813993

IUPACN-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCOC1)NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C17H19FN2O4S/c18-14-6-7-15(13-4-1-9-19-17(13)14)25(22,23)20-16(21)8-5-12-3-2-10-24-11-12/h1,4,6-7,9,12H,2-3,5,8,10-11H2,(H,20,21)/t12-/m1/s1
InChIKeyWZADCOMBPLVFJI-GFCCVEGCSA-N
MW366.41 g/mol
LogP2.39
Rot. Bonds5

About N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide

N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide (PubChem CID 99813993) has the molecular formula C17H19FN2O4S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide.

Molecular Properties

Compound NameN-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide
PubChem CID99813993
Molecular FormulaC17H19FN2O4S
Molecular Weight366.41 g/mol
Exact Mass366.10
IUPAC NameN-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide
SMILESO=C(CC[C@H]1CCCOC1)NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C17H19FN2O4S/c18-14-6-7-15(13-4-1-9-19-17(13)14)25(22,23)20-16(21)8-5-12-3-2-10-24-11-12/h1,4,6-7,9,12H,2-3,5,8,10-11H2,(H,20,21)/t12-/m1/s1
InChIKeyWZADCOMBPLVFJI-GFCCVEGCSA-N
XLogP2.39
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide?
The IUPAC name of N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide (CID 99813993) is N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide.
What is the SMILES notation for N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide?
The canonical SMILES for N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide is O=C(CC[C@H]1CCCOC1)NS(=O)(=O)c1ccc(F)c2ncccc12.
What is the InChIKey of N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide?
The InChIKey is WZADCOMBPLVFJI-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O4S/c18-14-6-7-15(13-4-1-9-19-17(13)14)25(22,23)20-16(21)8-5-12-3-2-10-24-11-12/h1,4,6-7,9,12H,2-3,5,8,10-11H2,(H,20,21)/t12-/m1/s1.
What are the key properties of N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide?
N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide has a molecular weight of 366.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoroquinolin-5-yl)sulfonyl-3-[(3R)-oxan-3-yl]propanamide is sourced from PubChem (CID 99813993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).