4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C13H13Cl2N3O4S — CID 129004129

IUPAC4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)o1
InChIInChI=1S/C13H13Cl2N3O4S/c1-8-16-17-13(22-8)11-7-18(4-5-21-11)23(19,20)12-6-9(14)2-3-10(12)15/h2-3,6,11H,4-5,7H2,1H3
InChIKeyDGWFZAXDWYVVGQ-UHFFFAOYSA-N
MW378.24 g/mol
LogP2.45
Rot. Bonds3

About 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 129004129) has the molecular formula C13H13Cl2N3O4S and a molecular weight of 378.24 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID129004129
Molecular FormulaC13H13Cl2N3O4S
Molecular Weight378.24 g/mol
Exact Mass377.00
IUPAC Name4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)o1
InChIInChI=1S/C13H13Cl2N3O4S/c1-8-16-17-13(22-8)11-7-18(4-5-21-11)23(19,20)12-6-9(14)2-3-10(12)15/h2-3,6,11H,4-5,7H2,1H3
InChIKeyDGWFZAXDWYVVGQ-UHFFFAOYSA-N
XLogP2.45
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(8-chloroquinolin-5-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 154795711
(2R)-4-(2,5-dichlorothiophen-3-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129325894
4-(5-tert-butylthiophen-2-yl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129001065
(2R)-4-(4-cyclohexylphenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 129328175
(2R)-4-(5-chloro-2-methoxyphenyl)sulfonyl-2-phenylmorpholine
CID 42109148
4-(2-chloro-5-fluorophenyl)sulfonyl-2-(1-methylpyrazol-4-yl)morpholine
CID 75494719
1-(2,5-dichlorophenyl)sulfonylpyrrolidine
CID 767694
2-chloro-4-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]sulfonylbenzonitrile
CID 129004168
4-(5-chloro-2-methoxyphenyl)sulfonyl-2-(4-fluorophenyl)morpholine
CID 110326818
4-(2-chloro-5-methylphenyl)sulfonyl-2-phenyl-1,4-oxazepane
CID 146085400
1-(2,5-dichlorophenyl)sulfonylpyrrolidine-3,4-diol
CID 106672458
1-(2,5-dichlorophenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62536952

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 129004129) is 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc(C2CN(S(=O)(=O)c3cc(Cl)ccc3Cl)CCO2)o1.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is DGWFZAXDWYVVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O4S/c1-8-16-17-13(22-8)11-7-18(4-5-21-11)23(19,20)12-6-9(14)2-3-10(12)15/h2-3,6,11H,4-5,7H2,1H3.
What are the key properties of 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 378.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfonyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 129004129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).