[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

C18H23ClN2O4S — CID 17404853

IUPAC[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1)N1CCOCC1
InChIInChI=1S/C18H23ClN2O4S/c19-17-3-1-15(2-4-17)7-14-26(23,24)21-8-5-16(6-9-21)18(22)20-10-12-25-13-11-20/h1-4,7,14,16H,5-6,8-13H2/b14-7+
InChIKeyHYHDCBJPFFBGEC-VGOFMYFVSA-N
MW398.91 g/mol
LogP2.21
Rot. Bonds4

About [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 17404853) has the molecular formula C18H23ClN2O4S and a molecular weight of 398.91 g/mol. Its IUPAC name is [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID17404853
Molecular FormulaC18H23ClN2O4S
Molecular Weight398.91 g/mol
Exact Mass398.11
IUPAC Name[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1)N1CCOCC1
InChIInChI=1S/C18H23ClN2O4S/c19-17-3-1-15(2-4-17)7-14-26(23,24)21-8-5-16(6-9-21)18(22)20-10-12-25-13-11-20/h1-4,7,14,16H,5-6,8-13H2/b14-7+
InChIKeyHYHDCBJPFFBGEC-VGOFMYFVSA-N
XLogP2.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.91
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (CID 17404853) is [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(S(=O)(=O)/C=C/c2ccc(Cl)cc2)CC1)N1CCOCC1.
What is the InChIKey of [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is HYHDCBJPFFBGEC-VGOFMYFVSA-N. The full InChI is InChI=1S/C18H23ClN2O4S/c19-17-3-1-15(2-4-17)7-14-26(23,24)21-8-5-16(6-9-21)18(22)20-10-12-25-13-11-20/h1-4,7,14,16H,5-6,8-13H2/b14-7+.
What are the key properties of [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 398.91 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 17404853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).