4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine

C18H16ClN3O4S — CID 53097906

IUPAC4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1)N1CCOCC1
InChIInChI=1S/C18H16ClN3O4S/c19-16-7-6-14(27(23,24)22-8-10-25-11-9-22)12-15(16)18-21-20-17(26-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyURJQLEMKVIRTAD-UHFFFAOYSA-N
MW405.86 g/mol
LogP3.08
Rot. Bonds4

About 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine

4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine (PubChem CID 53097906) has the molecular formula C18H16ClN3O4S and a molecular weight of 405.86 g/mol. Its IUPAC name is 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
PubChem CID53097906
Molecular FormulaC18H16ClN3O4S
Molecular Weight405.86 g/mol
Exact Mass405.06
IUPAC Name4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine
SMILESO=S(=O)(c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1)N1CCOCC1
InChIInChI=1S/C18H16ClN3O4S/c19-16-7-6-14(27(23,24)22-8-10-25-11-9-22)12-15(16)18-21-20-17(26-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2
InChIKeyURJQLEMKVIRTAD-UHFFFAOYSA-N
XLogP3.08
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.86
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098108
4-chloro-N-ethyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
CID 53098111
4-[3-[5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
CID 40919693
4-[3-[5-(3-phenylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfonylmorpholine
CID 4880490
4-[[6-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-3-pyridinyl]sulfonyl]morpholine
CID 28565686
2-[[4-(benzenesulfonyl)piperazin-1-ium-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 8743178
2-chloro-5-morpholin-4-ylsulfonyl-N-(5-phenyl-2-pyridinyl)benzamide
CID 55978562
4-(benzenesulfonyl)morpholine;ethane
CID 143200179
1-[[5-(4-morpholin-4-ylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-2-one
CID 1152193
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 42004038
2-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658604

Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine (CID 53097906) is 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine is O=S(=O)(c1ccc(Cl)c(-c2nnc(-c3ccccc3)o2)c1)N1CCOCC1.
What is the InChIKey of 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine?
The InChIKey is URJQLEMKVIRTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4S/c19-16-7-6-14(27(23,24)22-8-10-25-11-9-22)12-15(16)18-21-20-17(26-18)13-4-2-1-3-5-13/h1-7,12H,8-11H2.
What are the key properties of 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine?
4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine has a molecular weight of 405.86 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]sulfonylmorpholine is sourced from PubChem (CID 53097906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).