(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine

C13H18ClNO4S — CID 51943139

IUPAC(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-9-8-19-10(2)7-15(9)20(16,17)11-4-5-13(18-3)12(14)6-11/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyCGHCVHHCORMWOM-NXEZZACHSA-N
MW319.81 g/mol
LogP2.15
Rot. Bonds3

About (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine

(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine (PubChem CID 51943139) has the molecular formula C13H18ClNO4S and a molecular weight of 319.81 g/mol. Its IUPAC name is (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
PubChem CID51943139
Molecular FormulaC13H18ClNO4S
Molecular Weight319.81 g/mol
Exact Mass319.06
IUPAC Name(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine
SMILESCOc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1Cl
InChIInChI=1S/C13H18ClNO4S/c1-9-8-19-10(2)7-15(9)20(16,17)11-4-5-13(18-3)12(14)6-11/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyCGHCVHHCORMWOM-NXEZZACHSA-N
XLogP2.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.81
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methoxyphenyl)sulfonyl-5-methyl-2-(4-methylphenyl)morpholine
CID 110369532
4-(4-chloro-3-nitrophenyl)sulfonyl-2,5-dimethylmorpholine
CID 43544676
2-chloro-5-(2,5-dimethylmorpholin-4-yl)sulfonylbenzonitrile
CID 47304224
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
(2S,5R)-4-[(6-chloro-3-pyridinyl)sulfonyl]-2,5-dimethylmorpholine
CID 51682945
3-(2,5-dimethylmorpholin-4-yl)sulfonylbenzenesulfonyl fluoride
CID 114791367
4-(2-chlorophenyl)sulfonyl-2,5-dimethylmorpholine
CID 46596057
2-(3-chloro-4-methoxyphenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867911
4-(2,5-dimethylmorpholin-4-yl)sulfonylbenzoic acid
CID 43421867
1-(3-chloro-4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-amine
CID 103576375
4-(3,4-dichlorophenyl)sulfonyl-5-methyl-2-phenylmorpholine
CID 110369392
4-(4-cyclopentyloxyphenyl)sulfonyl-2,5-dimethylmorpholine
CID 110727700

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine?
The IUPAC name of (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine (CID 51943139) is (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine.
What is the SMILES notation for (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine?
The canonical SMILES for (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine is COc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1Cl.
What is the InChIKey of (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine?
The InChIKey is CGHCVHHCORMWOM-NXEZZACHSA-N. The full InChI is InChI=1S/C13H18ClNO4S/c1-9-8-19-10(2)7-15(9)20(16,17)11-4-5-13(18-3)12(14)6-11/h4-6,9-10H,7-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine?
(2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine has a molecular weight of 319.81 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-4-(3-chloro-4-methoxyphenyl)sulfonyl-2,5-dimethylmorpholine is sourced from PubChem (CID 51943139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).