4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine

C19H20ClNO3S — CID 13119946

IUPAC4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine
SMILESCc1ccc(S(=O)(=O)/C(=C/N2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-15-2-8-18(9-3-15)25(22,23)19(14-21-10-12-24-13-11-21)16-4-6-17(20)7-5-16/h2-9,14H,10-13H2,1H3/b19-14+
InChIKeyWWZQLVFLNFBOTE-XMHGGMMESA-N
MW377.89 g/mol
LogP3.75
Rot. Bonds4

About 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine

4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine (PubChem CID 13119946) has the molecular formula C19H20ClNO3S and a molecular weight of 377.89 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine
PubChem CID13119946
Molecular FormulaC19H20ClNO3S
Molecular Weight377.89 g/mol
Exact Mass377.09
IUPAC Name4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine
SMILESCc1ccc(S(=O)(=O)/C(=C/N2CCOCC2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H20ClNO3S/c1-15-2-8-18(9-3-15)25(22,23)19(14-21-10-12-24-13-11-21)16-4-6-17(20)7-5-16/h2-9,14H,10-13H2,1H3/b19-14+
InChIKeyWWZQLVFLNFBOTE-XMHGGMMESA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.89
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-chlorophenyl)ethenylsulfonyl]-4-methylbenzene
CID 138974047
1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
CID 141461209
(Z)-2-(4-methylphenyl)-1,3-dimorpholin-4-ylprop-2-ene-1-thione
CID 87662755
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
(4-chlorophenyl)-(1,5,2-dioxazepan-2-yl)methanone
CID 141051954
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
(Z)-1,3-bis(4-chlorophenyl)-2-(4-methylphenyl)sulfonylprop-2-en-1-one
CID 155812790
4-chloro-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 99637235
N-[1-(4-chlorophenyl)ethylidene]-4-methylbenzenesulfonamide
CID 74345526
[4-(4-chlorophenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]-(4-methylphenyl)methanone
CID 20962497
[4-[1-(4-chlorophenyl)ethylidene]piperidin-1-yl] 4-methylbenzenesulfonate
CID 118022081
bis(4-methylbenzenesulfonic acid);oxane
CID 173435913

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine (CID 13119946) is 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine is Cc1ccc(S(=O)(=O)/C(=C/N2CCOCC2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine?
The InChIKey is WWZQLVFLNFBOTE-XMHGGMMESA-N. The full InChI is InChI=1S/C19H20ClNO3S/c1-15-2-8-18(9-3-15)25(22,23)19(14-21-10-12-24-13-11-21)16-4-6-17(20)7-5-16/h2-9,14H,10-13H2,1H3/b19-14+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine?
4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine has a molecular weight of 377.89 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylethenyl]morpholine is sourced from PubChem (CID 13119946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).