(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine

C17H15ClN4O4S — CID 92568402

IUPAC(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCO[C@@H](c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C17H15ClN4O4S/c18-13-4-1-5-14(9-13)27(23,24)22-7-8-25-15(11-22)17-20-16(21-26-17)12-3-2-6-19-10-12/h1-6,9-10,15H,7-8,11H2/t15-/m1/s1
InChIKeyUZYSRZVIFWGMIC-OAHLLOKOSA-N
MW406.85 g/mol
LogP2.55
Rot. Bonds4

About (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine

(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 92568402) has the molecular formula C17H15ClN4O4S and a molecular weight of 406.85 g/mol. Its IUPAC name is (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID92568402
Molecular FormulaC17H15ClN4O4S
Molecular Weight406.85 g/mol
Exact Mass406.05
IUPAC Name(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
SMILESO=S(=O)(c1cccc(Cl)c1)N1CCO[C@@H](c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C17H15ClN4O4S/c18-13-4-1-5-14(9-13)27(23,24)22-7-8-25-15(11-22)17-20-16(21-26-17)12-3-2-6-19-10-12/h1-6,9-10,15H,7-8,11H2/t15-/m1/s1
InChIKeyUZYSRZVIFWGMIC-OAHLLOKOSA-N
XLogP2.55
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine
CID 110224506
(2S)-4-(3-fluorophenyl)sulfonyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575837
(2R)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575832
(2S)-4-(3-chlorophenyl)sulfonyl-2-phenylmorpholine
CID 51696505
5-[(3R,4R)-4-methyl-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 87051934
2-(2-chlorophenyl)-4-(3-chlorophenyl)sulfonylmorpholine
CID 110326938
5-[1-(benzenesulfonyl)azetidin-3-yl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 121095496
(2S)-4-(benzenesulfonyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]morpholine
CID 92562252
5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 50799537
5-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 6557844
4-(3-chlorophenyl)sulfonylmorpholine-2-carbothioamide
CID 79675206
2-[4-(3-chlorophenyl)sulfonylmorpholin-2-yl]acetic acid
CID 66433238

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine (CID 92568402) is (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine is O=S(=O)(c1cccc(Cl)c1)N1CCO[C@@H](c2nc(-c3cccnc3)no2)C1.
What is the InChIKey of (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is UZYSRZVIFWGMIC-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15ClN4O4S/c18-13-4-1-5-14(9-13)27(23,24)22-7-8-25-15(11-22)17-20-16(21-26-17)12-3-2-6-19-10-12/h1-6,9-10,15H,7-8,11H2/t15-/m1/s1.
What are the key properties of (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine?
(2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 406.85 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(3-chlorophenyl)sulfonyl-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 92568402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).