(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine

C15H22ClNO4S — CID 2238311

IUPAC(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C15H22ClNO4S/c1-5-20-14-6-10(2)13(16)7-15(14)22(18,19)17-8-11(3)21-12(4)9-17/h6-7,11-12H,5,8-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyXXZLTTYSOAJSKO-VXGBXAGGSA-N
MW347.86 g/mol
LogP2.85
Rot. Bonds4

About (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine

(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 2238311) has the molecular formula C15H22ClNO4S and a molecular weight of 347.86 g/mol. Its IUPAC name is (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
PubChem CID2238311
Molecular FormulaC15H22ClNO4S
Molecular Weight347.86 g/mol
Exact Mass347.10
IUPAC Name(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
SMILESCCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C15H22ClNO4S/c1-5-20-14-6-10(2)13(16)7-15(14)22(18,19)17-8-11(3)21-12(4)9-17/h6-7,11-12H,5,8-9H2,1-4H3/t11-,12-/m1/s1
InChIKeyXXZLTTYSOAJSKO-VXGBXAGGSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,6R)-4-(5-chloro-4-methyl-2-propoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 40793380
4-(2,5-diethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 6460147
(1S,5R)-7-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 155914542
(3R,5R)-1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 7314523
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-3,5-dimethylpiperidine
CID 11841663
(2R,6S)-4-(5-bromo-2-methoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 7314575
(2R)-1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7314548
(2R,6R)-4-(3,4-diethoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 9185875
(2S,6S)-4-(4-chloro-3-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 39730574
1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
CID 110757988
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
1,4-bis[(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl]piperazine
CID 71671530

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine (CID 2238311) is (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine is CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is XXZLTTYSOAJSKO-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22ClNO4S/c1-5-20-14-6-10(2)13(16)7-15(14)22(18,19)17-8-11(3)21-12(4)9-17/h6-7,11-12H,5,8-9H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine?
(2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 347.86 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 2238311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).