N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide

C17H17FN2O3S — CID 84586890

IUPACN-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide
SMILESC=CCC(CC=C)C(=O)NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C17H17FN2O3S/c1-3-6-12(7-4-2)17(21)20-24(22,23)15-10-9-14(18)16-13(15)8-5-11-19-16/h3-5,8-12H,1-2,6-7H2,(H,20,21)
InChIKeyIOORXGITOFDLEP-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.95
Rot. Bonds7

About N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide

N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide (PubChem CID 84586890) has the molecular formula C17H17FN2O3S and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide.

Molecular Properties

Compound NameN-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide
PubChem CID84586890
Molecular FormulaC17H17FN2O3S
Molecular Weight348.40 g/mol
Exact Mass348.09
IUPAC NameN-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide
SMILESC=CCC(CC=C)C(=O)NS(=O)(=O)c1ccc(F)c2ncccc12
InChIInChI=1S/C17H17FN2O3S/c1-3-6-12(7-4-2)17(21)20-24(22,23)15-10-9-14(18)16-13(15)8-5-11-19-16/h3-5,8-12H,1-2,6-7H2,(H,20,21)
InChIKeyIOORXGITOFDLEP-UHFFFAOYSA-N
XLogP2.95
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide?
The IUPAC name of N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide (CID 84586890) is N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide.
What is the SMILES notation for N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide?
The canonical SMILES for N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide is C=CCC(CC=C)C(=O)NS(=O)(=O)c1ccc(F)c2ncccc12.
What is the InChIKey of N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide?
The InChIKey is IOORXGITOFDLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O3S/c1-3-6-12(7-4-2)17(21)20-24(22,23)15-10-9-14(18)16-13(15)8-5-11-19-16/h3-5,8-12H,1-2,6-7H2,(H,20,21).
What are the key properties of N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide?
N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide has a molecular weight of 348.40 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoroquinolin-5-yl)sulfonyl-2-prop-2-enylpent-4-enamide is sourced from PubChem (CID 84586890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).