3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine

C16H17FN2O4S — CID 126822812

IUPAC3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine
SMILESCOc1cncc(S(=O)(=O)N2CCOCC2c2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O4S/c1-22-14-8-15(10-18-9-14)24(20,21)19-5-6-23-11-16(19)12-3-2-4-13(17)7-12/h2-4,7-10,16H,5-6,11H2,1H3
InChIKeyJLTORGREQKOAQC-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.99
Rot. Bonds4

About 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine

3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine (PubChem CID 126822812) has the molecular formula C16H17FN2O4S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine
PubChem CID126822812
Molecular FormulaC16H17FN2O4S
Molecular Weight352.39 g/mol
Exact Mass352.09
IUPAC Name3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine
SMILESCOc1cncc(S(=O)(=O)N2CCOCC2c2cccc(F)c2)c1
InChIInChI=1S/C16H17FN2O4S/c1-22-14-8-15(10-18-9-14)24(20,21)19-5-6-23-11-16(19)12-3-2-4-13(17)7-12/h2-4,7-10,16H,5-6,11H2,1H3
InChIKeyJLTORGREQKOAQC-UHFFFAOYSA-N
XLogP1.99
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-5-(1-methylsulfonylpiperidin-4-yl)oxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-sulfonamide
CID 118724654
N-[1-[2-(2-propan-2-ylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
CID 127027386
N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]pyridine-3-sulfonamide
CID 127027388
5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-N-phenylpyridine-3-sulfonamide
CID 164610523
4-[(5-Morpholin-4-ylsulfonyl-2-pyridinyl)oxy]benzonitrile
CID 24979086
4-[1-(4-Ethoxybenzenesulfonyl)piperidin-4-YL]pyridine
CID 16033054
1-[[6-(2-Ethylphenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 24979755
N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 2728410
N-[3-[(3,5-difluorophenyl)methoxy]-2-pyridinyl]-4-pentylbenzenesulfonamide
CID 2728411
Padoprazan
CID 162519691
5-[2-(4-Fluorophenyl)pyrrolidin-1-yl]sulfonyl-2-phenoxypyridine
CID 2738253
4-ethoxy-3-fluoro-N-phenethyl-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 52906765

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine?
The IUPAC name of 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine (CID 126822812) is 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine.
What is the SMILES notation for 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine?
The canonical SMILES for 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine is COc1cncc(S(=O)(=O)N2CCOCC2c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine?
The InChIKey is JLTORGREQKOAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O4S/c1-22-14-8-15(10-18-9-14)24(20,21)19-5-6-23-11-16(19)12-3-2-4-13(17)7-12/h2-4,7-10,16H,5-6,11H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine?
3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine has a molecular weight of 352.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-[(5-methoxy-3-pyridinyl)sulfonyl]morpholine is sourced from PubChem (CID 126822812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).