4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C16H16BrFN2O3S2 — CID 60593593

IUPAC4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2cc(Br)ccc2F)nc1)N1CCOCC1
InChIInChI=1S/C16H16BrFN2O3S2/c17-13-1-3-15(18)12(9-13)11-24-16-4-2-14(10-19-16)25(21,22)20-5-7-23-8-6-20/h1-4,9-10H,5-8,11H2
InChIKeyZDZYAAQHAZASHI-UHFFFAOYSA-N
MW447.35 g/mol
LogP3.30
Rot. Bonds5

About 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 60593593) has the molecular formula C16H16BrFN2O3S2 and a molecular weight of 447.35 g/mol. Its IUPAC name is 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID60593593
Molecular FormulaC16H16BrFN2O3S2
Molecular Weight447.35 g/mol
Exact Mass445.98
IUPAC Name4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2cc(Br)ccc2F)nc1)N1CCOCC1
InChIInChI=1S/C16H16BrFN2O3S2/c17-13-1-3-15(18)12(9-13)11-24-16-4-2-14(10-19-16)25(21,22)20-5-7-23-8-6-20/h1-4,9-10H,5-8,11H2
InChIKeyZDZYAAQHAZASHI-UHFFFAOYSA-N
XLogP3.30
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.35
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 16571041
4-[[6-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 33343698
4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17427652
1-(azepan-1-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7569990
N-(3,5-dimethylphenyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 17429620
(2-fluoro-5-morpholin-4-ylsulfonylphenyl)methanamine
CID 28716694
4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 24598514
2-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 27977159
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-1-naphthalen-2-ylethanone
CID 38974013
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 60593593) is 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(SCc2cc(Br)ccc2F)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is ZDZYAAQHAZASHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S2/c17-13-1-3-15(18)12(9-13)11-24-16-4-2-14(10-19-16)25(21,22)20-5-7-23-8-6-20/h1-4,9-10H,5-8,11H2.
What are the key properties of 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 447.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 60593593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).