[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

C16H20Cl2N2O4S — CID 1078684

IUPAC[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCOCC1
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-1-2-14(18)15(11-13)25(22,23)20-5-3-12(4-6-20)16(21)19-7-9-24-10-8-19/h1-2,11-12H,3-10H2
InChIKeyBEPYVSCXBGHZQC-UHFFFAOYSA-N
MW407.32 g/mol
LogP2.25
Rot. Bonds3

About [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 1078684) has the molecular formula C16H20Cl2N2O4S and a molecular weight of 407.32 g/mol. Its IUPAC name is [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID1078684
Molecular FormulaC16H20Cl2N2O4S
Molecular Weight407.32 g/mol
Exact Mass406.05
IUPAC Name[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCOCC1
InChIInChI=1S/C16H20Cl2N2O4S/c17-13-1-2-14(18)15(11-13)25(22,23)20-5-3-12(4-6-20)16(21)19-7-9-24-10-8-19/h1-2,11-12H,3-10H2
InChIKeyBEPYVSCXBGHZQC-UHFFFAOYSA-N
XLogP2.25
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (CID 1078684) is [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is O=C(C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)N1CCOCC1.
What is the InChIKey of [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is BEPYVSCXBGHZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4S/c17-13-1-2-14(18)15(11-13)25(22,23)20-5-3-12(4-6-20)16(21)19-7-9-24-10-8-19/h1-2,11-12H,3-10H2.
What are the key properties of [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
[1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 407.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dichlorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1078684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).