4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

C18H17ClN4O4S2 — CID 16571041

IUPAC4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2nc(-c3ccc(Cl)cc3)no2)nc1)N1CCOCC1
InChIInChI=1S/C18H17ClN4O4S2/c19-14-3-1-13(2-4-14)18-21-16(27-22-18)12-28-17-6-5-15(11-20-17)29(24,25)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2
InChIKeyZNFOMTMGPOOLAA-UHFFFAOYSA-N
MW452.95 g/mol
LogP3.10
Rot. Bonds6

About 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 16571041) has the molecular formula C18H17ClN4O4S2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID16571041
Molecular FormulaC18H17ClN4O4S2
Molecular Weight452.95 g/mol
Exact Mass452.04
IUPAC Name4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(SCc2nc(-c3ccc(Cl)cc3)no2)nc1)N1CCOCC1
InChIInChI=1S/C18H17ClN4O4S2/c19-14-3-1-13(2-4-14)18-21-16(27-22-18)12-28-17-6-5-15(11-20-17)29(24,25)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2
InChIKeyZNFOMTMGPOOLAA-UHFFFAOYSA-N
XLogP3.10
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine with MolForge

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Related Compounds

5-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 17469667
4-[[6-[(2-chlorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17390596
4-[[6-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 60593593
4-[[6-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 24598514
5-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanylmethyl]-3-propyl-1,2,4-oxadiazole
CID 36807211
2-[(4-chlorophenyl)methylsulfanyl]-5-piperidin-1-ylsulfonylpyridine
CID 7759312
5-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanylmethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 24649677
4-[4-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]phenyl]sulfonylmorpholine
CID 46329228
N-[1-(4-chlorophenyl)propyl]-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55540758
3-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
CID 50825186
4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17427652
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 43933308

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine (CID 16571041) is 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(SCc2nc(-c3ccc(Cl)cc3)no2)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is ZNFOMTMGPOOLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O4S2/c19-14-3-1-13(2-4-14)18-21-16(27-22-18)12-28-17-6-5-15(11-20-17)29(24,25)23-7-9-26-10-8-23/h1-6,11H,7-10,12H2.
What are the key properties of 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 452.95 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 16571041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).