2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C19H18ClN3O4S2 — CID 53098190

IUPAC2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCSCC4)ccc3Cl)o2)cc1
InChIInChI=1S/C19H18ClN3O4S2/c1-26-14-4-2-13(3-5-14)18-21-22-19(27-18)16-12-15(6-7-17(16)20)29(24,25)23-8-10-28-11-9-23/h2-7,12H,8-11H2,1H3
InChIKeyCPZPACYSWIEXTD-UHFFFAOYSA-N
MW451.96 g/mol
LogP3.80
Rot. Bonds5

About 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 53098190) has the molecular formula C19H18ClN3O4S2 and a molecular weight of 451.96 g/mol. Its IUPAC name is 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID53098190
Molecular FormulaC19H18ClN3O4S2
Molecular Weight451.96 g/mol
Exact Mass451.04
IUPAC Name2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCSCC4)ccc3Cl)o2)cc1
InChIInChI=1S/C19H18ClN3O4S2/c1-26-14-4-2-13(3-5-14)18-21-22-19(27-18)16-12-15(6-7-17(16)20)29(24,25)23-8-10-28-11-9-23/h2-7,12H,8-11H2,1H3
InChIKeyCPZPACYSWIEXTD-UHFFFAOYSA-N
XLogP3.80
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.96
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
CID 53097906
2-(4-methylphenyl)-5-(3-thiomorpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53098100
(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46387596
2-[1-(3-chloro-4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 132944448
2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole
CID 5146548
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide;hydrochloride
CID 18558661
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-6-(4-methoxyphenyl)pyrimidine
CID 90517144
4-[4-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]sulfonylmorpholine
CID 3570882
1-[4-(6-methoxynaphthalen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 50876377
4-(4-methylphenyl)sulfonylthiomorpholine
CID 4068383
4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098111

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 53098190) is 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cc(S(=O)(=O)N4CCSCC4)ccc3Cl)o2)cc1.
What is the InChIKey of 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is CPZPACYSWIEXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4S2/c1-26-14-4-2-13(3-5-14)18-21-22-19(27-18)16-12-15(6-7-17(16)20)29(24,25)23-8-10-28-11-9-23/h2-7,12H,8-11H2,1H3.
What are the key properties of 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 451.96 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-thiomorpholin-4-ylsulfonylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 53098190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).