[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone

C19H21ClN2O4S — CID 67168485

IUPAC[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
SMILESCCOc1cccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H21ClN2O4S/c1-2-26-18-5-3-4-17(21-18)19(23)22-12-10-16(11-13-22)27(24,25)15-8-6-14(20)7-9-15/h3-9,16H,2,10-13H2,1H3
InChIKeyJMDOKKNQZYIJGI-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.21
Rot. Bonds5

About [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone

[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone (PubChem CID 67168485) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
PubChem CID67168485
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone
SMILESCCOc1cccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
InChIInChI=1S/C19H21ClN2O4S/c1-2-26-18-5-3-4-17(21-18)19(23)22-12-10-16(11-13-22)27(24,25)15-8-6-14(20)7-9-15/h3-9,16H,2,10-13H2,1H3
InChIKeyJMDOKKNQZYIJGI-UHFFFAOYSA-N
XLogP3.21
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone (CID 67168485) is [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone is CCOc1cccc(C(=O)N2CCC(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1.
What is the InChIKey of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
The InChIKey is JMDOKKNQZYIJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-2-26-18-5-3-4-17(21-18)19(23)22-12-10-16(11-13-22)27(24,25)15-8-6-14(20)7-9-15/h3-9,16H,2,10-13H2,1H3.
What are the key properties of [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone?
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone has a molecular weight of 408.91 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(6-ethoxy-2-pyridinyl)methanone is sourced from PubChem (CID 67168485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).