(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone

C20H22ClNO3S — CID 110394334

IUPAC(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H22ClNO3S/c21-19-8-6-17(7-9-19)20(23)18-10-13-22(14-11-18)26(24,25)15-12-16-4-2-1-3-5-16/h1-9,18H,10-15H2
InChIKeyUAVIJUNXEIQTMQ-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.81
Rot. Bonds6

About (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone

(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone (PubChem CID 110394334) has the molecular formula C20H22ClNO3S and a molecular weight of 391.92 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
PubChem CID110394334
Molecular FormulaC20H22ClNO3S
Molecular Weight391.92 g/mol
Exact Mass391.10
IUPAC Name(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)CCc2ccccc2)CC1
InChIInChI=1S/C20H22ClNO3S/c21-19-8-6-17(7-9-19)20(23)18-10-13-22(14-11-18)26(24,25)15-12-16-4-2-1-3-5-16/h1-9,18H,10-15H2
InChIKeyUAVIJUNXEIQTMQ-UHFFFAOYSA-N
XLogP3.81
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxyphenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone
CID 94244239
[1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 110394038
1-(2-phenylethylsulfonyl)piperidin-4-amine;hydrochloride
CID 119959095
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 100753567
4-(4-chloro-2-fluorophenoxy)-1-(2-phenylethylsulfonyl)piperidine
CID 175243852
1-(2,6-dichlorophenyl)-4-(2-phenylethylsulfonyl)piperazine
CID 113080466
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
3-methyl-1-(2-phenylethylsulfonyl)pyrrolidine
CID 110749816
(4-chlorophenyl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 60561002
(4-chlorophenyl)-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methanone
CID 110902032
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone (CID 110394334) is (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone is O=C(c1ccc(Cl)cc1)C1CCN(S(=O)(=O)CCc2ccccc2)CC1.
What is the InChIKey of (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone?
The InChIKey is UAVIJUNXEIQTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3S/c21-19-8-6-17(7-9-19)20(23)18-10-13-22(14-11-18)26(24,25)15-12-16-4-2-1-3-5-16/h1-9,18H,10-15H2.
What are the key properties of (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone?
(4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone has a molecular weight of 391.92 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(2-phenylethylsulfonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 110394334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).