[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

C17H23ClN2O5S — CID 1093374

IUPAC[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C17H23ClN2O5S/c1-24-16-3-2-14(12-15(16)18)26(22,23)20-6-4-13(5-7-20)17(21)19-8-10-25-11-9-19/h2-3,12-13H,4-11H2,1H3
InChIKeyLUDOPWBDVQAFRT-UHFFFAOYSA-N
MW402.90 g/mol
LogP1.61
Rot. Bonds4

About [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone

[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 1093374) has the molecular formula C17H23ClN2O5S and a molecular weight of 402.90 g/mol. Its IUPAC name is [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID1093374
Molecular FormulaC17H23ClN2O5S
Molecular Weight402.90 g/mol
Exact Mass402.10
IUPAC Name[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1Cl
InChIInChI=1S/C17H23ClN2O5S/c1-24-16-3-2-14(12-15(16)18)26(22,23)20-6-4-13(5-7-20)17(21)19-8-10-25-11-9-19/h2-3,12-13H,4-11H2,1H3
InChIKeyLUDOPWBDVQAFRT-UHFFFAOYSA-N
XLogP1.61
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.90
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone (CID 1093374) is [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is LUDOPWBDVQAFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O5S/c1-24-16-3-2-14(12-15(16)18)26(22,23)20-6-4-13(5-7-20)17(21)19-8-10-25-11-9-19/h2-3,12-13H,4-11H2,1H3.
What are the key properties of [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone?
[1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 402.90 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methoxyphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1093374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).