(2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine

C19H20ClNO3S — CID 132961757

IUPAC(2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine
SMILESC=C[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C19H20ClNO3S/c1-3-17-12-21(25(22,23)18-10-4-14(2)5-11-18)13-19(24-17)15-6-8-16(20)9-7-15/h3-11,17,19H,1,12-13H2,2H3/t17-,19-/m1/s1
InChIKeyRVSLFFYVPHMYQS-IEBWSBKVSA-N
MW377.89 g/mol
LogP3.97
Rot. Bonds4

About (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine

(2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine (PubChem CID 132961757) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name(2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine
PubChem CID132961757
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name(2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine
SMILESC=C[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H](c2ccc(Cl)cc2)O1
InChIInChI=1S/C19H20ClNO3S/c1-3-17-12-21(25(22,23)18-10-4-14(2)5-11-18)13-19(24-17)15-6-8-16(20)9-7-15/h3-11,17,19H,1,12-13H2,2H3/t17-,19-/m1/s1
InChIKeyRVSLFFYVPHMYQS-IEBWSBKVSA-N
XLogP3.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369122
2-(4-chlorophenyl)-7-methyl-4-(4-methylphenyl)sulfonyl-3,7-dihydro-2H-1,4-oxazepine
CID 44550414
2-(4-methylphenyl)-4-(4-methylphenyl)sulfonylmorpholine
CID 110326567
4-(4-methoxyphenyl)sulfonyl-2-methyl-6-(4-methylphenyl)morpholine
CID 110369123
4-(4-bromophenyl)sulfonyl-2-(4-methylphenyl)morpholine
CID 110326570
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 2847064
(2R)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-1,3-thiazolidine
CID 1041495
(3R)-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonyloxaziridine
CID 12598044
1-(4-chlorophenyl)sulfonyl-3-cyclopropylazetidine
CID 154870443
[2,6-bis(4-chlorophenyl)oxan-4-yl] 4-methylbenzenesulfonate
CID 139234441
3-ethenyl-5-methyl-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine
CID 102224159
3-chloro-1-(4-methylphenyl)sulfonylpyrrolidine
CID 63400608

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine?
The IUPAC name of (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine (CID 132961757) is (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine.
What is the SMILES notation for (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine?
The canonical SMILES for (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine is C=C[C@@H]1CN(S(=O)(=O)c2ccc(C)cc2)C[C@H](c2ccc(Cl)cc2)O1.
What is the InChIKey of (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine?
The InChIKey is RVSLFFYVPHMYQS-IEBWSBKVSA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-3-17-12-21(25(22,23)18-10-4-14(2)5-11-18)13-19(24-17)15-6-8-16(20)9-7-15/h3-11,17,19H,1,12-13H2,2H3/t17-,19-/m1/s1.
What are the key properties of (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine?
(2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine has a molecular weight of 377.89 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2-(4-chlorophenyl)-6-ethenyl-4-(4-methylphenyl)sulfonylmorpholine is sourced from PubChem (CID 132961757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).