[4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone

C25H23Cl2NO4S — CID 24731014

IUPAC[4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C25H23Cl2NO4S/c1-32-24-5-3-2-4-22(24)25(29)28-14-12-20(13-15-28)33(30,31)19-9-6-17(7-10-19)21-11-8-18(26)16-23(21)27/h2-11,16,20H,12-15H2,1H3
InChIKeyWIZZZWFEWFLYOY-UHFFFAOYSA-N
MW504.44 g/mol
LogP5.75
Rot. Bonds5

About [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone

[4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 24731014) has the molecular formula C25H23Cl2NO4S and a molecular weight of 504.44 g/mol. Its IUPAC name is [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID24731014
Molecular FormulaC25H23Cl2NO4S
Molecular Weight504.44 g/mol
Exact Mass503.07
IUPAC Name[4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CC1
InChIInChI=1S/C25H23Cl2NO4S/c1-32-24-5-3-2-4-22(24)25(29)28-14-12-20(13-15-28)33(30,31)19-9-6-17(7-10-19)21-11-8-18(26)16-23(21)27/h2-11,16,20H,12-15H2,1H3
InChIKeyWIZZZWFEWFLYOY-UHFFFAOYSA-N
XLogP5.75
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.44
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(benzenesulfonyl)piperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 90589371
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591909
(5-chloro-2-methoxyphenyl)-[(3R)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 129373829
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
(2-methoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 5149560
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 967184
(4-chlorophenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 46555244
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]methanone
CID 73168116
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(5-chloro-2-methoxyphenyl)-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 26757252
[2-(2,4-dichlorophenoxy)phenyl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119562310

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone (CID 24731014) is [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(S(=O)(=O)c2ccc(-c3ccc(Cl)cc3Cl)cc2)CC1.
What is the InChIKey of [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is WIZZZWFEWFLYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2NO4S/c1-32-24-5-3-2-4-22(24)25(29)28-14-12-20(13-15-28)33(30,31)19-9-6-17(7-10-19)21-11-8-18(26)16-23(21)27/h2-11,16,20H,12-15H2,1H3.
What are the key properties of [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone?
[4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 504.44 g/mol, XLogP of 5.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2,4-dichlorophenyl)phenyl]sulfonylpiperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 24731014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).