(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

C19H20ClNO4S — CID 90591909

IUPAC(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20ClNO4S/c1-25-16-5-7-17(8-6-16)26(23,24)18-9-11-21(12-10-18)19(22)14-3-2-4-15(20)13-14/h2-8,13,18H,9-12H2,1H3
InChIKeyHWNFTPHXLGFILB-UHFFFAOYSA-N
MW393.89 g/mol
LogP3.43
Rot. Bonds4

About (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone

(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (PubChem CID 90591909) has the molecular formula C19H20ClNO4S and a molecular weight of 393.89 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
PubChem CID90591909
Molecular FormulaC19H20ClNO4S
Molecular Weight393.89 g/mol
Exact Mass393.08
IUPAC Name(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
SMILESCOc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C19H20ClNO4S/c1-25-16-5-7-17(8-6-16)26(23,24)18-9-11-21(12-10-18)19(22)14-3-2-4-15(20)13-14/h2-8,13,18H,9-12H2,1H3
InChIKeyHWNFTPHXLGFILB-UHFFFAOYSA-N
XLogP3.43
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.89
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]benzonitrile
CID 71809004
3H-benzimidazol-5-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591860
(2-chloro-6-fluorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591730
3-chloro-N-[3-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 121140727
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-(4-propylphenyl)methanone
CID 90591711
(4-chlorophenyl)-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]methanone
CID 67168197
furan-2-yl-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone
CID 90591686
[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-thiophen-2-ylmethanone
CID 90591694
N-[(2S)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzenesulfonamide
CID 33190168
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]-(4-methylphenyl)methanone
CID 67168519
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 90591701

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone (CID 90591909) is (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is COc1ccc(S(=O)(=O)C2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is HWNFTPHXLGFILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4S/c1-25-16-5-7-17(8-6-16)26(23,24)18-9-11-21(12-10-18)19(22)14-3-2-4-15(20)13-14/h2-8,13,18H,9-12H2,1H3.
What are the key properties of (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone?
(3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 393.89 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 90591909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).