4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C16H17ClN2O3S2 — CID 17390596

IUPAC4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2ccccc2Cl)nc1)N1CCOCC1
InChIInChI=1S/C16H17ClN2O3S2/c17-15-4-2-1-3-13(15)12-23-16-6-5-14(11-18-16)24(20,21)19-7-9-22-10-8-19/h1-6,11H,7-10,12H2
InChIKeyZWYFCMNBOIZPRT-UHFFFAOYSA-N
MW384.91 g/mol
LogP3.05
Rot. Bonds5

About 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 17390596) has the molecular formula C16H17ClN2O3S2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID17390596
Molecular FormulaC16H17ClN2O3S2
Molecular Weight384.91 g/mol
Exact Mass384.04
IUPAC Name4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2ccccc2Cl)nc1)N1CCOCC1
InChIInChI=1S/C16H17ClN2O3S2/c17-15-4-2-1-3-13(15)12-23-16-6-5-14(11-18-16)24(20,21)19-7-9-22-10-8-19/h1-6,11H,7-10,12H2
InChIKeyZWYFCMNBOIZPRT-UHFFFAOYSA-N
XLogP3.05
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine with MolForge

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Related Compounds

4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 60593593
4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17427652
4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 16571041
4-[[6-[(1S)-1-(2-chlorophenyl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 7774902
1-(azepan-1-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7569990
1-[(6-benzylsulfanyl-3-pyridinyl)sulfonyl]azepane
CID 7593932
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 30117657
2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]-1-naphthalen-2-ylethanone
CID 38974013
6-[(2-chlorophenyl)methylsulfanyl]-N,N-diethylpyridine-3-sulfonamide
CID 40663670
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028
1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7561679

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 17390596) is 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(SCc2ccccc2Cl)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is ZWYFCMNBOIZPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S2/c17-15-4-2-1-3-13(15)12-23-16-6-5-14(11-18-16)24(20,21)19-7-9-22-10-8-19/h1-6,11H,7-10,12H2.
What are the key properties of 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 384.91 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 17390596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).