(2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone

C20H22FNO5S — CID 90589781

IUPAC(2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C20H22FNO5S/c1-26-15-5-8-18(19(13-15)27-2)20(23)22-11-9-17(10-12-22)28(24,25)16-6-3-14(21)4-7-16/h3-8,13,17H,9-12H2,1-2H3
InChIKeyDFSVXADWLPXXFL-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.92
Rot. Bonds5

About (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone

(2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 90589781) has the molecular formula C20H22FNO5S and a molecular weight of 407.46 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID90589781
Molecular FormulaC20H22FNO5S
Molecular Weight407.46 g/mol
Exact Mass407.12
IUPAC Name(2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C20H22FNO5S/c1-26-15-5-8-18(19(13-15)27-2)20(23)22-11-9-17(10-12-22)28(24,25)16-6-3-14(21)4-7-16/h3-8,13,17H,9-12H2,1-2H3
InChIKeyDFSVXADWLPXXFL-UHFFFAOYSA-N
XLogP2.92
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone (CID 90589781) is (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is COc1ccc(C(=O)N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is DFSVXADWLPXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO5S/c1-26-15-5-8-18(19(13-15)27-2)20(23)22-11-9-17(10-12-22)28(24,25)16-6-3-14(21)4-7-16/h3-8,13,17H,9-12H2,1-2H3.
What are the key properties of (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone?
(2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 407.46 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 90589781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).