2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine

C15H17FN2O3S — CID 166435443

IUPAC2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine
SMILESCCC1CN(S(=O)(=O)c2ccc(F)c3ncccc23)CCO1
InChIInChI=1S/C15H17FN2O3S/c1-2-11-10-18(8-9-21-11)22(19,20)14-6-5-13(16)15-12(14)4-3-7-17-15/h3-7,11H,2,8-10H2,1H3
InChIKeyIFXHRMRVKKWCJC-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.17
Rot. Bonds3

About 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine

2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine (PubChem CID 166435443) has the molecular formula C15H17FN2O3S and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine.

Molecular Properties

Compound Name2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine
PubChem CID166435443
Molecular FormulaC15H17FN2O3S
Molecular Weight324.38 g/mol
Exact Mass324.09
IUPAC Name2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine
SMILESCCC1CN(S(=O)(=O)c2ccc(F)c3ncccc23)CCO1
InChIInChI=1S/C15H17FN2O3S/c1-2-11-10-18(8-9-21-11)22(19,20)14-6-5-13(16)15-12(14)4-3-7-17-15/h3-7,11H,2,8-10H2,1H3
InChIKeyIFXHRMRVKKWCJC-UHFFFAOYSA-N
XLogP2.17
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-ethylmorpholin-4-yl)sulfonyl-3-fluorophenyl]methanol
CID 79187593
3-(2-ethylmorpholin-4-yl)sulfonyl-4-fluorobenzoic acid
CID 43421826
2-(chloromethyl)-4-[(3-fluoro-2-pyridinyl)sulfonyl]morpholine
CID 103308297
8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
CID 60534849
5-(3-chloropyrrolidin-1-yl)sulfonyl-8-methylquinoline
CID 104774152
2-ethyl-4-(2-propylpyrazol-3-yl)sulfonylmorpholine
CID 131910815
[4-(2,3,4-trifluorophenyl)sulfonylmorpholin-2-yl]methanamine
CID 114398416
4-(4-bromo-3-fluorophenyl)sulfonyl-2-ethylmorpholine
CID 113242547
4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 154795711
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010
4-(2-chloropyrimidin-5-yl)sulfonyl-2-ethylmorpholine
CID 43562747
5-(2-ethylmorpholin-4-yl)sulfonylpyrimidin-2-amine
CID 62147516

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine?
The IUPAC name of 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine (CID 166435443) is 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine.
What is the SMILES notation for 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine?
The canonical SMILES for 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine is CCC1CN(S(=O)(=O)c2ccc(F)c3ncccc23)CCO1.
What is the InChIKey of 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine?
The InChIKey is IFXHRMRVKKWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3S/c1-2-11-10-18(8-9-21-11)22(19,20)14-6-5-13(16)15-12(14)4-3-7-17-15/h3-7,11H,2,8-10H2,1H3.
What are the key properties of 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine?
2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine has a molecular weight of 324.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(8-fluoroquinolin-5-yl)sulfonylmorpholine is sourced from PubChem (CID 166435443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).