(2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine

C12H16ClNO3S — CID 70327234

IUPAC(2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine
SMILESC[C@@H]1[C@@H](C)OCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-9-10(2)17-8-7-14(9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyQYOUTZTUXPPSGC-NXEZZACHSA-N
MW289.78 g/mol
LogP2.14
Rot. Bonds2

About (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine

(2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine (PubChem CID 70327234) has the molecular formula C12H16ClNO3S and a molecular weight of 289.78 g/mol. Its IUPAC name is (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine.

Molecular Properties

Compound Name(2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine
PubChem CID70327234
Molecular FormulaC12H16ClNO3S
Molecular Weight289.78 g/mol
Exact Mass289.05
IUPAC Name(2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine
SMILESC[C@@H]1[C@@H](C)OCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C12H16ClNO3S/c1-9-10(2)17-8-7-14(9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyQYOUTZTUXPPSGC-NXEZZACHSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.78
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine?
The IUPAC name of (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine (CID 70327234) is (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine.
What is the SMILES notation for (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine?
The canonical SMILES for (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine is C[C@@H]1[C@@H](C)OCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine?
The InChIKey is QYOUTZTUXPPSGC-NXEZZACHSA-N. The full InChI is InChI=1S/C12H16ClNO3S/c1-9-10(2)17-8-7-14(9)18(15,16)12-5-3-11(13)4-6-12/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine?
(2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine has a molecular weight of 289.78 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-(4-chlorophenyl)sulfonyl-2,3-dimethylmorpholine is sourced from PubChem (CID 70327234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).