4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine

C18H20ClNO3S — CID 171678470

IUPAC4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-23-15-6-8-16(9-7-15)24(21,22)20-12-10-14(11-13-20)17-4-2-3-5-18(17)19/h2-9,14H,10-13H2,1H3
InChIKeyPKPLRFYIYIVITQ-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.92
Rot. Bonds4

About 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine

4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine (PubChem CID 171678470) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
PubChem CID171678470
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C18H20ClNO3S/c1-23-15-6-8-16(9-7-15)24(21,22)20-12-10-14(11-13-20)17-4-2-3-5-18(17)19/h2-9,14H,10-13H2,1H3
InChIKeyPKPLRFYIYIVITQ-UHFFFAOYSA-N
XLogP3.92
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylmorpholine
CID 110326898
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
1-(2-chlorophenyl)-4-(4-methoxyphenyl)sulfonylpiperazin-1-ium
CID 4059396
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-(4-chlorophenyl)sulfonyl-4-(3-methoxyphenyl)piperidine
CID 139619012
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1,3-benzoxazole
CID 21008046
[1-(benzenesulfonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 1438179
3-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-2-methyl-1H-indole
CID 113087340
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine (CID 171678470) is 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCC(c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is PKPLRFYIYIVITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-23-15-6-8-16(9-7-15)24(21,22)20-12-10-14(11-13-20)17-4-2-3-5-18(17)19/h2-9,14H,10-13H2,1H3.
What are the key properties of 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine?
4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 365.88 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 171678470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).