N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide

C14H13FN2O5S — CID 71881507

IUPACN-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)c2ncccc12)C1COCCO1
InChIInChI=1S/C14H13FN2O5S/c15-10-3-4-12(9-2-1-5-16-13(9)10)23(19,20)17-14(18)11-8-21-6-7-22-11/h1-5,11H,6-8H2,(H,17,18)
InChIKeyCFMOQIBQCMOGJD-UHFFFAOYSA-N
MW340.33 g/mol
LogP0.59
Rot. Bonds3

About N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide

N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide (PubChem CID 71881507) has the molecular formula C14H13FN2O5S and a molecular weight of 340.33 g/mol. Its IUPAC name is N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide.

Molecular Properties

Compound NameN-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide
PubChem CID71881507
Molecular FormulaC14H13FN2O5S
Molecular Weight340.33 g/mol
Exact Mass340.05
IUPAC NameN-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)c2ncccc12)C1COCCO1
InChIInChI=1S/C14H13FN2O5S/c15-10-3-4-12(9-2-1-5-16-13(9)10)23(19,20)17-14(18)11-8-21-6-7-22-11/h1-5,11H,6-8H2,(H,17,18)
InChIKeyCFMOQIBQCMOGJD-UHFFFAOYSA-N
XLogP0.59
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide?
The IUPAC name of N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide (CID 71881507) is N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide.
What is the SMILES notation for N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide?
The canonical SMILES for N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide is O=C(NS(=O)(=O)c1ccc(F)c2ncccc12)C1COCCO1.
What is the InChIKey of N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide?
The InChIKey is CFMOQIBQCMOGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O5S/c15-10-3-4-12(9-2-1-5-16-13(9)10)23(19,20)17-14(18)11-8-21-6-7-22-11/h1-5,11H,6-8H2,(H,17,18).
What are the key properties of N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide?
N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-fluoroquinolin-5-yl)sulfonyl-1,4-dioxane-2-carboxamide is sourced from PubChem (CID 71881507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).